3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole

C84H80N8O8 — CID 45005556

IUPAC3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(COc3ccc(C4C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC4N5)cc3)on2)cc1
InChIInChI=1S/C84H80N8O8/c1-5-13-53(14-6-1)77-45-65(97-89-77)49-93-61-29-21-57(22-30-61)81-69-37-39-71(85-69)82(58-23-31-62(32-24-58)94-50-66-46-78(90-98-66)54-15-7-2-8-16-54)73-41-43-75(87-73)84(60-27-35-64(36-28-60)96-52-68-48-80(92-100-68)56-19-11-4-12-20-56)76-44-42-74(88-76)83(72-40-38-70(81)86-72)59-25-33-63(34-26-59)95-51-67-47-79(91-99-67)55-17-9-3-10-18-55/h1-36,45-48,69-76,81-88H,37-44,49-52H2
InChIKeyTYOVMQUNUIREMJ-UHFFFAOYSA-N
MW1329.61 g/mol
LogP16.55
Rot. Bonds20

About 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole

3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole (PubChem CID 45005556) has the molecular formula C84H80N8O8 and a molecular weight of 1329.61 g/mol. Its IUPAC name is 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
PubChem CID45005556
Molecular FormulaC84H80N8O8
Molecular Weight1329.61 g/mol
Exact Mass1328.61
IUPAC Name3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(COc3ccc(C4C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC4N5)cc3)on2)cc1
InChIInChI=1S/C84H80N8O8/c1-5-13-53(14-6-1)77-45-65(97-89-77)49-93-61-29-21-57(22-30-61)81-69-37-39-71(85-69)82(58-23-31-62(32-24-58)94-50-66-46-78(90-98-66)54-15-7-2-8-16-54)73-41-43-75(87-73)84(60-27-35-64(36-28-60)96-52-68-48-80(92-100-68)56-19-11-4-12-20-56)76-44-42-74(88-76)83(72-40-38-70(81)86-72)59-25-33-63(34-26-59)95-51-67-47-79(91-99-67)55-17-9-3-10-18-55/h1-36,45-48,69-76,81-88H,37-44,49-52H2
InChIKeyTYOVMQUNUIREMJ-UHFFFAOYSA-N
XLogP16.55
TPSA189.16 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001329.61
LogP ≤ 516.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole with MolForge

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Related Compounds

5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
CID 2748900
tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
CID 54505547
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole
CID 70095116
3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762967
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole (CID 45005556) is 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole is c1ccc(-c2cc(COc3ccc(C4C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC(N5)C(c5ccc(OCc6cc(-c7ccccc7)no6)cc5)C5CCC4N5)cc3)on2)cc1.
What is the InChIKey of 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole?
The InChIKey is TYOVMQUNUIREMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H80N8O8/c1-5-13-53(14-6-1)77-45-65(97-89-77)49-93-61-29-21-57(22-30-61)81-69-37-39-71(85-69)82(58-23-31-62(32-24-58)94-50-66-46-78(90-98-66)54-15-7-2-8-16-54)73-41-43-75(87-73)84(60-27-35-64(36-28-60)96-52-68-48-80(92-100-68)56-19-11-4-12-20-56)76-44-42-74(88-76)83(72-40-38-70(81)86-72)59-25-33-63(34-26-59)95-51-67-47-79(91-99-67)55-17-9-3-10-18-55/h1-36,45-48,69-76,81-88H,37-44,49-52H2.
What are the key properties of 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole?
3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole has a molecular weight of 1329.61 g/mol, XLogP of 16.55, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 45005556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).