N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide

C27H28N2O2 — CID 16867478

IUPACN-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccc(-c3ccccc3)cc2)on1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H28N2O2/c30-26(27-14-18-10-19(15-27)12-20(11-18)16-27)28-17-24-13-25(31-29-24)23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-9,13,18-20H,10-12,14-17H2,(H,28,30)
InChIKeyWZIVUZODCKFKKI-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.84
Rot. Bonds5

About N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide

N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide (PubChem CID 16867478) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
PubChem CID16867478
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccc(-c3ccccc3)cc2)on1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H28N2O2/c30-26(27-14-18-10-19(15-27)12-20(11-18)16-27)28-17-24-13-25(31-29-24)23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-9,13,18-20H,10-12,14-17H2,(H,28,30)
InChIKeyWZIVUZODCKFKKI-UHFFFAOYSA-N
XLogP5.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
1-[2-(4-hydroxyphenyl)ethyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 122156014
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51106245
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093365

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide (CID 16867478) is N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide is O=C(NCc1cc(-c2ccc(-c3ccccc3)cc2)on1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
The InChIKey is WZIVUZODCKFKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-26(27-14-18-10-19(15-27)12-20(11-18)16-27)28-17-24-13-25(31-29-24)23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-9,13,18-20H,10-12,14-17H2,(H,28,30).
What are the key properties of N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 16867478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).