N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide

C19H19N3O3 — CID 28729704

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1)C(N)=O
InChIInChI=1S/C19H19N3O3/c1-12(18(20)23)21-19(24)14-8-9-16-15(11-14)22-17(25-16)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H2,20,23)(H,21,24)/t12-/m0/s1
InChIKeyQFMGGEKUXYRJAP-LBPRGKRZSA-N
MW337.38 g/mol
LogP2.22
Rot. Bonds6

About N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 28729704) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID28729704
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1)C(N)=O
InChIInChI=1S/C19H19N3O3/c1-12(18(20)23)21-19(24)14-8-9-16-15(11-14)22-17(25-16)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H2,20,23)(H,21,24)/t12-/m0/s1
InChIKeyQFMGGEKUXYRJAP-LBPRGKRZSA-N
XLogP2.22
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42380482
methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]amino]butanoate
CID 45245990
2-(3-phenylpropyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
CID 45188566
N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42098920
2-benzyl-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 74229687
N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089405
[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]boronic acid
CID 44520555
N-methyl-2-(2-phenylethyl)-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25459084
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074884
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42526152
2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 133167282

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide (CID 28729704) is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide is C[C@H](NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is QFMGGEKUXYRJAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(18(20)23)21-19(24)14-8-9-16-15(11-14)22-17(25-16)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H2,20,23)(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 28729704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).