2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide

C14H17N3O2 — CID 114924652

IUPAC2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
SMILESCc1cc(NC(=O)C(N)CCc2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-10-9-13(17-19-10)16-14(18)12(15)8-7-11-5-3-2-4-6-11/h2-6,9,12H,7-8,15H2,1H3,(H,16,17,18)
InChIKeyVHBKXFGFIZNBKN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide

2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide (PubChem CID 114924652) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
PubChem CID114924652
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
SMILESCc1cc(NC(=O)C(N)CCc2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-10-9-13(17-19-10)16-14(18)12(15)8-7-11-5-3-2-4-6-11/h2-6,9,12H,7-8,15H2,1H3,(H,16,17,18)
InChIKeyVHBKXFGFIZNBKN-UHFFFAOYSA-N
XLogP1.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
CID 104984517
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
CID 104984888
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-phenylacetamide
CID 86870242
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
CID 104984882
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
CID 110370442
2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 86913137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide (CID 114924652) is 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide is Cc1cc(NC(=O)C(N)CCc2ccccc2)no1.
What is the InChIKey of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide?
The InChIKey is VHBKXFGFIZNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-9-13(17-19-10)16-14(18)12(15)8-7-11-5-3-2-4-6-11/h2-6,9,12H,7-8,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide?
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide has a molecular weight of 259.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 114924652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).