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

C16H21N3O2 — CID 119704480

IUPAC(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide
SMILESCc1ncc(-c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-10-18-9-13(21-10)11-5-7-12(8-6-11)19-15(20)14(17)16(2,3)4/h5-9,14H,17H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyYTKOPRCVBLGFHX-CQSZACIVSA-N
MW287.36 g/mol
LogP2.96
Rot. Bonds3

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

(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide (PubChem CID 119704480) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide
PubChem CID119704480
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide
SMILESCc1ncc(-c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-10-18-9-13(21-10)11-5-7-12(8-6-11)19-15(20)14(17)16(2,3)4/h5-9,14H,17H2,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyYTKOPRCVBLGFHX-CQSZACIVSA-N
XLogP2.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pentanamide
CID 119279222
3-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704493
[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
CID 86632608
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
(2R)-3-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813821
2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
CID 112830792
(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 103928696
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
3-methyl-N,N'-bis[4-(2-methyl-1,3-oxazol-5-yl)phenyl]hexanediamide
CID 112830791
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
CID 103808708
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide (CID 119704480) is (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide is Cc1ncc(-c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)o1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide?
The InChIKey is YTKOPRCVBLGFHX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-18-9-13(21-10)11-5-7-12(8-6-11)19-15(20)14(17)16(2,3)4/h5-9,14H,17H2,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide has a molecular weight of 287.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 119704480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).