(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C21H17N3O2 — CID 71662588

IUPAC(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1
InChIInChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m0/s1
InChIKeyHEVUROULBIHFRC-AWEZNQCLSA-N
MW343.39 g/mol
LogP4.63
Rot. Bonds4

About (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 71662588) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID71662588
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1
InChIInChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m0/s1
InChIKeyHEVUROULBIHFRC-AWEZNQCLSA-N
XLogP4.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296653
(2S)-2-(naphthalen-1-ylamino)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662776
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
2-methyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 6457333
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296650
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 22587200
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 71662588) is (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is C[C@H](C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is HEVUROULBIHFRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 343.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 71662588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).