2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C9H14N4O2 — CID 61014873

IUPAC2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1noc(CNC(=O)CNC2CC2)n1
InChIInChI=1S/C9H14N4O2/c1-6-12-9(15-13-6)5-11-8(14)4-10-7-2-3-7/h7,10H,2-5H2,1H3,(H,11,14)
InChIKeySBYJIXHVZBZGDY-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.25
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 61014873) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID61014873
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1noc(CNC(=O)CNC2CC2)n1
InChIInChI=1S/C9H14N4O2/c1-6-12-9(15-13-6)5-11-8(14)4-10-7-2-3-7/h7,10H,2-5H2,1H3,(H,11,14)
InChIKeySBYJIXHVZBZGDY-UHFFFAOYSA-N
XLogP-0.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63877202
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 56823999
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027204
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
CID 61013892
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 61014873) is 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1noc(CNC(=O)CNC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is SBYJIXHVZBZGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-12-9(15-13-6)5-11-8(14)4-10-7-2-3-7/h7,10H,2-5H2,1H3,(H,11,14).
What are the key properties of 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 61014873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).