N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide

C12H18N2O2 — CID 12556881

IUPACN-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide
SMILESCCCCN(C(=O)C1CC1)c1nc(C)co1
InChIInChI=1S/C12H18N2O2/c1-3-4-7-14(11(15)10-5-6-10)12-13-9(2)8-16-12/h8,10H,3-7H2,1-2H3
InChIKeyYSKPHODLBKBYJO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.53
Rot. Bonds5

About N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide

N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide (PubChem CID 12556881) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide
PubChem CID12556881
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide
SMILESCCCCN(C(=O)C1CC1)c1nc(C)co1
InChIInChI=1S/C12H18N2O2/c1-3-4-7-14(11(15)10-5-6-10)12-13-9(2)8-16-12/h8,10H,3-7H2,1-2H3
InChIKeyYSKPHODLBKBYJO-UHFFFAOYSA-N
XLogP2.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide (CID 12556881) is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide is CCCCN(C(=O)C1CC1)c1nc(C)co1.
What is the InChIKey of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide?
The InChIKey is YSKPHODLBKBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-7-14(11(15)10-5-6-10)12-13-9(2)8-16-12/h8,10H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide?
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide has a molecular weight of 222.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 12556881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).