(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide

C21H23N3O2 — CID 126517027

IUPAC(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(2)23-19(12-16-6-4-3-5-7-16)21(25)24-18-10-8-17(9-11-18)20-13-22-14-26-20/h3-11,13-15,19,23H,12H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeySTBORAMQHJIDIW-IBGZPJMESA-N
MW349.43 g/mol
LogP3.89
Rot. Bonds7

About (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide

(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide (PubChem CID 126517027) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide
PubChem CID126517027
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(2)23-19(12-16-6-4-3-5-7-16)21(25)24-18-10-8-17(9-11-18)20-13-22-14-26-20/h3-11,13-15,19,23H,12H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeySTBORAMQHJIDIW-IBGZPJMESA-N
XLogP3.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(iodoiodanuidylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylpropanamide
CID 153179179
2-(methylamino)-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylpropanamide
CID 123157870
3-(ethylamino)-2-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62853092
(2R)-N-[4-(1,3-oxazol-5-yl)phenyl]-2-phenoxypropanamide
CID 99633929
2-amino-3-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119724910
2-[benzyl(methyl)amino]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 86873274
(2S)-2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 103831428
2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
CID 66174342
3-hydroxy-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylbutanamide
CID 90178107
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide (CID 126517027) is (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide is CC(C)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide?
The InChIKey is STBORAMQHJIDIW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)23-19(12-16-6-4-3-5-7-16)21(25)24-18-10-8-17(9-11-18)20-13-22-14-26-20/h3-11,13-15,19,23H,12H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide?
(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 126517027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).