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

C13H15N3O2 — CID 104897754

IUPAC(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
SMILESCc1cc(CNC(=O)[C@@H](N)c2ccccc2)on1
InChIInChI=1S/C13H15N3O2/c1-9-7-11(18-16-9)8-15-13(17)12(14)10-5-3-2-4-6-10/h2-7,12H,8,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyQHLHFKHVSCEDFK-LBPRGKRZSA-N
MW245.28 g/mol
LogP1.30
Rot. Bonds4

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

(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide (PubChem CID 104897754) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
PubChem CID104897754
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
SMILESCc1cc(CNC(=O)[C@@H](N)c2ccccc2)on1
InChIInChI=1S/C13H15N3O2/c1-9-7-11(18-16-9)8-15-13(17)12(14)10-5-3-2-4-6-10/h2-7,12H,8,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyQHLHFKHVSCEDFK-LBPRGKRZSA-N
XLogP1.30
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
CID 56864135
(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 104898011
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
2-amino-5-methoxy-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentanamide
CID 81088105
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
2-amino-N-ethyl-2-phenylacetamide
CID 22262703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide (CID 104897754) is (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide is Cc1cc(CNC(=O)[C@@H](N)c2ccccc2)on1.
What is the InChIKey of (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide?
The InChIKey is QHLHFKHVSCEDFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-11(18-16-9)8-15-13(17)12(14)10-5-3-2-4-6-10/h2-7,12H,8,14H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide has a molecular weight of 245.28 g/mol, XLogP of 1.30, 4 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-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 104897754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).