(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide

C16H21N3O2 — CID 106388377

IUPAC(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide
SMILESCc1cnc(C(C)NC(=O)[C@@H](N)CCc2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-11-10-18-16(21-11)12(2)19-15(20)14(17)9-8-13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,17H2,1-2H3,(H,19,20)/t12?,14-/m0/s1
InChIKeyZWIMGNBEQJGQHA-PYMCNQPYSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds6

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

(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide (PubChem CID 106388377) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide
PubChem CID106388377
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide
SMILESCc1cnc(C(C)NC(=O)[C@@H](N)CCc2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-11-10-18-16(21-11)12(2)19-15(20)14(17)9-8-13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,17H2,1-2H3,(H,19,20)/t12?,14-/m0/s1
InChIKeyZWIMGNBEQJGQHA-PYMCNQPYSA-N
XLogP2.12
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-phenylpropanamide
CID 106388389
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 106390071
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 114928414
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide (CID 106388377) is (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide is Cc1cnc(C(C)NC(=O)[C@@H](N)CCc2ccccc2)o1.
What is the InChIKey of (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide?
The InChIKey is ZWIMGNBEQJGQHA-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-10-18-16(21-11)12(2)19-15(20)14(17)9-8-13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,17H2,1-2H3,(H,19,20)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide?
(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 106388377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).