2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole

C38H25N5O2 — CID 144730003

IUPAC2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESC1=COC(c2cccc(-c3cc4c(c5ccccc35)c3ccc(-c5cccc(-c6ncco6)n5)cc3n4-c3ccccc3)n2)N1
InChIInChI=1S/C38H25N5O2/c1-2-8-25(9-3-1)43-34-22-24(30-12-6-14-32(41-30)37-39-18-20-44-37)16-17-28(34)36-27-11-5-4-10-26(27)29(23-35(36)43)31-13-7-15-33(42-31)38-40-19-21-45-38/h1-23,38,40H
InChIKeyYKQPDVLUSZFPHN-UHFFFAOYSA-N
MW583.65 g/mol
LogP8.81
Rot. Bonds5

About 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole

2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole (PubChem CID 144730003) has the molecular formula C38H25N5O2 and a molecular weight of 583.65 g/mol. Its IUPAC name is 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
PubChem CID144730003
Molecular FormulaC38H25N5O2
Molecular Weight583.65 g/mol
Exact Mass583.20
IUPAC Name2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESC1=COC(c2cccc(-c3cc4c(c5ccccc35)c3ccc(-c5cccc(-c6ncco6)n5)cc3n4-c3ccccc3)n2)N1
InChIInChI=1S/C38H25N5O2/c1-2-8-25(9-3-1)43-34-22-24(30-12-6-14-32(41-30)37-39-18-20-44-37)16-17-28(34)36-27-11-5-4-10-26(27)29(23-35(36)43)31-13-7-15-33(42-31)38-40-19-21-45-38/h1-23,38,40H
InChIKeyYKQPDVLUSZFPHN-UHFFFAOYSA-N
XLogP8.81
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.65
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[4-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
CID 44534246
N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
CID 59762427
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-[7-[2-[3-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]-1,3-oxazol-5-yl]naphthalen-2-yl]-1,3-oxazol-2-yl]aniline
CID 72192572
2-[2-(1,3-oxazol-2-yl)indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 137660998
2-(1,3-oxazol-2-yl)-6-phenyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 60202536
6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 9949131
2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methylphenyl)-1,3-oxazole
CID 72708459
2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(2-methylphenyl)-1,3-oxazole
CID 72708460
3-{7-[5-(o-Tolyl)-oxazole-2-yl]-naphthalene-2-yl}-6-fluoro-1H-indole
CID 139215786
3-{7-[5-(p-Tolyl)-oxazole-2-yl]-naphthalene-2-yl}-6-fluoro-1H-indole
CID 139215787
3-{7-[5-(4-Fluorophenyl)-oxazole-2-yl]-naphthalene-2-yl}-6-fluoro-1H-indole
CID 139215794
2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole
CID 139215799

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole (CID 144730003) is 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole is C1=COC(c2cccc(-c3cc4c(c5ccccc35)c3ccc(-c5cccc(-c6ncco6)n5)cc3n4-c3ccccc3)n2)N1.
What is the InChIKey of 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is YKQPDVLUSZFPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5O2/c1-2-8-25(9-3-1)43-34-22-24(30-12-6-14-32(41-30)37-39-18-20-44-37)16-17-28(34)36-27-11-5-4-10-26(27)29(23-35(36)43)31-13-7-15-33(42-31)38-40-19-21-45-38/h1-23,38,40H.
What are the key properties of 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 583.65 g/mol, XLogP of 8.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-[6-(2,3-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[g]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 144730003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).