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

C13H16N4O2 — CID 106416224

IUPAC(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
SMILESCc1nc(CCNC(=O)[C@@H](N)c2ccccc2)no1
InChIInChI=1S/C13H16N4O2/c1-9-16-11(17-19-9)7-8-15-13(18)12(14)10-5-3-2-4-6-10/h2-6,12H,7-8,14H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyYXQKDARQRXPCME-LBPRGKRZSA-N
MW260.30 g/mol
LogP0.74
Rot. Bonds5

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

(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide (PubChem CID 106416224) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
PubChem CID106416224
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
SMILESCc1nc(CCNC(=O)[C@@H](N)c2ccccc2)no1
InChIInChI=1S/C13H16N4O2/c1-9-16-11(17-19-9)7-8-15-13(18)12(14)10-5-3-2-4-6-10/h2-6,12H,7-8,14H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyYXQKDARQRXPCME-LBPRGKRZSA-N
XLogP0.74
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 119317584
2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
1-[4-(1-aminoethyl)phenyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106422674
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide
CID 106416066
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
CID 104897754
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
2-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106396565
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide (CID 106416224) is (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide is Cc1nc(CCNC(=O)[C@@H](N)c2ccccc2)no1.
What is the InChIKey of (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide?
The InChIKey is YXQKDARQRXPCME-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-16-11(17-19-9)7-8-15-13(18)12(14)10-5-3-2-4-6-10/h2-6,12H,7-8,14H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide?
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide has a molecular weight of 260.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 106416224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).