N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C10H11ClN2O2 — CID 115636972

IUPACN-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C10H11ClN2O2/c1-6(11)5-12-10(14)8-4-9(15-13-8)7-2-3-7/h4,7H,1-3,5H2,(H,12,14)
InChIKeyHJTZIGOPRCOXIP-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.03
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 115636972) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID115636972
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC NameN-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C10H11ClN2O2/c1-6(11)5-12-10(14)8-4-9(15-13-8)7-2-3-7/h4,7H,1-3,5H2,(H,12,14)
InChIKeyHJTZIGOPRCOXIP-UHFFFAOYSA-N
XLogP2.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 115636972) is N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is C=C(Cl)CNC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is HJTZIGOPRCOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6(11)5-12-10(14)8-4-9(15-13-8)7-2-3-7/h4,7H,1-3,5H2,(H,12,14).
What are the key properties of N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 226.66 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 115636972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).