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

C10H18N4O2 — CID 106397686

IUPAC(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCc1ncon1
InChIInChI=1S/C10H18N4O2/c1-3-7(2)9(11)10(15)12-5-4-8-13-6-16-14-8/h6-7,9H,3-5,11H2,1-2H3,(H,12,15)/t7?,9-/m0/s1
InChIKeyKLJLBDYTCMEPJO-NETXQHHPSA-N
MW226.28 g/mol
LogP0.10
Rot. Bonds6

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

(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide (PubChem CID 106397686) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
PubChem CID106397686
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCc1ncon1
InChIInChI=1S/C10H18N4O2/c1-3-7(2)9(11)10(15)12-5-4-8-13-6-16-14-8/h6-7,9H,3-5,11H2,1-2H3,(H,12,15)/t7?,9-/m0/s1
InChIKeyKLJLBDYTCMEPJO-NETXQHHPSA-N
XLogP0.10
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409914
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246
6-amino-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397604
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 114183640
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
(2S)-3-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404555
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
CID 61156256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide (CID 106397686) is (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide is CCC(C)[C@H](N)C(=O)NCCc1ncon1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The InChIKey is KLJLBDYTCMEPJO-NETXQHHPSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-7(2)9(11)10(15)12-5-4-8-13-6-16-14-8/h6-7,9H,3-5,11H2,1-2H3,(H,12,15)/t7?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide has a molecular weight of 226.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 106397686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).