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

C16H21ClN4O2 — CID 119782360

IUPAC(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H21ClN4O2/c1-10(2)9-13(18)16(22)19-8-7-14-20-15(21-23-14)11-3-5-12(17)6-4-11/h3-6,10,13H,7-9,18H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyCIHJWRKHTYGOBQ-ZDUSSCGKSA-N
MW336.82 g/mol
LogP2.42
Rot. Bonds7

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

(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide (PubChem CID 119782360) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
PubChem CID119782360
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H21ClN4O2/c1-10(2)9-13(18)16(22)19-8-7-14-20-15(21-23-14)11-3-5-12(17)6-4-11/h3-6,10,13H,7-9,18H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyCIHJWRKHTYGOBQ-ZDUSSCGKSA-N
XLogP2.42
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120989493
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-methylpropyl)guanidine
CID 111809518
(2S)-2-but-3-enoxy-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 95233554
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111809531
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide
CID 9227893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide (CID 119782360) is (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide?
The InChIKey is CIHJWRKHTYGOBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-10(2)9-13(18)16(22)19-8-7-14-20-15(21-23-14)11-3-5-12(17)6-4-11/h3-6,10,13H,7-9,18H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide has a molecular weight of 336.82 g/mol, XLogP of 2.42, 7 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-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide is sourced from PubChem (CID 119782360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).