N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide

C9H12N2O2 — CID 130694231

IUPACN-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide
SMILESCCC1CC1NC(=O)c1cocn1
InChIInChI=1S/C9H12N2O2/c1-2-6-3-7(6)11-9(12)8-4-13-5-10-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyJSAJEKLPGAGQLZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.20
Rot. Bonds3

About N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide

N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide (PubChem CID 130694231) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide
PubChem CID130694231
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide
SMILESCCC1CC1NC(=O)c1cocn1
InChIInChI=1S/C9H12N2O2/c1-2-6-3-7(6)11-9(12)8-4-13-5-10-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyJSAJEKLPGAGQLZ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide (CID 130694231) is N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide is CCC1CC1NC(=O)c1cocn1.
What is the InChIKey of N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JSAJEKLPGAGQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-6-3-7(6)11-9(12)8-4-13-5-10-8/h4-7H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide?
N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 130694231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).