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

C15H19N3O2 — CID 104984517

IUPAC(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
SMILESCc1noc(NC(=O)[C@@H](N)CCc2ccccc2)c1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)18-20-15(10)17-14(19)13(16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-9,16H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyAUHCZIGQDSVBOU-ZDUSSCGKSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds5

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

(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide (PubChem CID 104984517) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
PubChem CID104984517
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
SMILESCc1noc(NC(=O)[C@@H](N)CCc2ccccc2)c1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)18-20-15(10)17-14(19)13(16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-9,16H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyAUHCZIGQDSVBOU-ZDUSSCGKSA-N
XLogP2.19
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 65487960
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 65485859
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
(2S)-2-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 104984259
(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide
CID 104984764
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide (CID 104984517) is (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide is Cc1noc(NC(=O)[C@@H](N)CCc2ccccc2)c1C.
What is the InChIKey of (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide?
The InChIKey is AUHCZIGQDSVBOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-11(2)18-20-15(10)17-14(19)13(16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-9,16H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide has a molecular weight of 273.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).