1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide

C9H12N2O2 — CID 131086599

IUPAC1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2ccon2)CC1
InChIInChI=1S/C9H12N2O2/c1-9(3-4-9)8(12)10-6-7-2-5-13-11-7/h2,5H,3-4,6H2,1H3,(H,10,12)
InChIKeyZQMNPHDAOVXMTI-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds3

About 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide

1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 131086599) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID131086599
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2ccon2)CC1
InChIInChI=1S/C9H12N2O2/c1-9(3-4-9)8(12)10-6-7-2-5-13-11-7/h2,5H,3-4,6H2,1H3,(H,10,12)
InChIKeyZQMNPHDAOVXMTI-UHFFFAOYSA-N
XLogP1.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
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2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
CID 79493303
4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
CID 81170882
2,2-dimethyl-3-(1,2-oxazol-3-ylmethylamino)-3-oxopropanoic acid
CID 82820653
N-(1,2-oxazol-3-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 81173501
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570
2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 113440200
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978996
1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518968

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide (CID 131086599) is 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide is CC1(C(=O)NCc2ccon2)CC1.
What is the InChIKey of 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ZQMNPHDAOVXMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(3-4-9)8(12)10-6-7-2-5-13-11-7/h2,5H,3-4,6H2,1H3,(H,10,12).
What are the key properties of 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide?
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131086599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).