2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide

C20H21N3O2 — CID 124505289

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)no1
InChIInChI=1S/C20H21N3O2/c1-14-12-19(23-25-14)13-20(24)22-18-10-8-17(9-11-18)21-15(2)16-6-4-3-5-7-16/h3-12,15,21H,13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyCKZKVVPKXUNZPF-HNNXBMFYSA-N
MW335.41 g/mol
LogP4.34
Rot. Bonds6

About 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide

2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide (PubChem CID 124505289) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
PubChem CID124505289
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)no1
InChIInChI=1S/C20H21N3O2/c1-14-12-19(23-25-14)13-20(24)22-18-10-8-17(9-11-18)21-15(2)16-6-4-3-5-7-16/h3-12,15,21H,13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyCKZKVVPKXUNZPF-HNNXBMFYSA-N
XLogP4.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 110621001
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
N-(5-methyl-1,2-oxazol-3-yl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189087
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986921
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
CID 48500676
2-[2-fluoro-4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenoxy]propanoic acid
CID 136556563

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide (CID 124505289) is 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide is Cc1cc(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide?
The InChIKey is CKZKVVPKXUNZPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-12-19(23-25-14)13-20(24)22-18-10-8-17(9-11-18)21-15(2)16-6-4-3-5-7-16/h3-12,15,21H,13H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide is sourced from PubChem (CID 124505289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).