N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

C15H19N3O2 — CID 86796588

IUPACN-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESN#CCN(C(=O)c1coc(CC2CC2)n1)C1CCCC1
InChIInChI=1S/C15H19N3O2/c16-7-8-18(12-3-1-2-4-12)15(19)13-10-20-14(17-13)9-11-5-6-11/h10-12H,1-6,8-9H2
InChIKeyKOEKDIVICBDHJU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.54
Rot. Bonds5

About N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide

N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 86796588) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID86796588
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
SMILESN#CCN(C(=O)c1coc(CC2CC2)n1)C1CCCC1
InChIInChI=1S/C15H19N3O2/c16-7-8-18(12-3-1-2-4-12)15(19)13-10-20-14(17-13)9-11-5-6-11/h10-12H,1-6,8-9H2
InChIKeyKOEKDIVICBDHJU-UHFFFAOYSA-N
XLogP2.54
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide (CID 86796588) is N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is N#CCN(C(=O)c1coc(CC2CC2)n1)C1CCCC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KOEKDIVICBDHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-8-18(12-3-1-2-4-12)15(19)13-10-20-14(17-13)9-11-5-6-11/h10-12H,1-6,8-9H2.
What are the key properties of N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide?
N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopentyl-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86796588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).