(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide

C21H17N3O2 — CID 94546889

IUPAC(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)[C@@H](Nc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)24-21-23-17-13-7-8-14-18(17)26-21/h1-14,19H,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyOUBSQMSEZQNEAP-IBGZPJMESA-N
MW343.39 g/mol
LogP4.62
Rot. Bonds5

About (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide

(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide (PubChem CID 94546889) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide
PubChem CID94546889
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)[C@@H](Nc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)24-21-23-17-13-7-8-14-18(17)26-21/h1-14,19H,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyOUBSQMSEZQNEAP-IBGZPJMESA-N
XLogP4.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
CID 62111311
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide
CID 133476335
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
(2R)-2-(1,3-benzoxazol-2-ylamino)butanedioic acid
CID 167988946
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
2-(1,3-benzoxazol-2-ylamino)hexanoic acid
CID 54895714
(2R)-2-formamido-N,2-diphenylacetamide
CID 167282535
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-[4-(methanesulfonamido)phenyl]butanoic acid
CID 67089771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide?
The IUPAC name of (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide (CID 94546889) is (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide.
What is the SMILES notation for (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide?
The canonical SMILES for (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide is O=C(Nc1ccccc1)[C@@H](Nc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide?
The InChIKey is OUBSQMSEZQNEAP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)24-21-23-17-13-7-8-14-18(17)26-21/h1-14,19H,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide?
(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide has a molecular weight of 343.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide is sourced from PubChem (CID 94546889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).