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

C10H18N4O2 — CID 61163276

IUPAC(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
SMILESCc1noc(CNC(=O)[C@@H](N)CC(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-6(2)4-8(11)10(15)12-5-9-13-7(3)14-16-9/h6,8H,4-5,11H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKeyPBAFFWNFISKZIP-QMMMGPOBSA-N
MW226.28 g/mol
LogP0.37
Rot. Bonds5

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

(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide (PubChem CID 61163276) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
PubChem CID61163276
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
SMILESCc1noc(CNC(=O)[C@@H](N)CC(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-6(2)4-8(11)10(15)12-5-9-13-7(3)14-16-9/h6,8H,4-5,11H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKeyPBAFFWNFISKZIP-QMMMGPOBSA-N
XLogP0.37
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 65227219
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 78977210
(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
CID 119782500
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106416982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide (CID 61163276) is (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide is Cc1noc(CNC(=O)[C@@H](N)CC(C)C)n1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The InChIKey is PBAFFWNFISKZIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)4-8(11)10(15)12-5-9-13-7(3)14-16-9/h6,8H,4-5,11H2,1-3H3,(H,12,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide has a molecular weight of 226.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 61163276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).