N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C15H15N3O2 — CID 47462354

IUPACN-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESN#CCN(C(=O)C1=NOC(c2ccccc2)C1)C1CC1
InChIInChI=1S/C15H15N3O2/c16-8-9-18(12-6-7-12)15(19)13-10-14(20-17-13)11-4-2-1-3-5-11/h1-5,12,14H,6-7,9-10H2
InChIKeyLCZOYKSUCFENHY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.02
Rot. Bonds4

About N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 47462354) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID47462354
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESN#CCN(C(=O)C1=NOC(c2ccccc2)C1)C1CC1
InChIInChI=1S/C15H15N3O2/c16-8-9-18(12-6-7-12)15(19)13-10-14(20-17-13)11-4-2-1-3-5-11/h1-5,12,14H,6-7,9-10H2
InChIKeyLCZOYKSUCFENHY-UHFFFAOYSA-N
XLogP2.02
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.02
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-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 47462354) is N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is N#CCN(C(=O)C1=NOC(c2ccccc2)C1)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is LCZOYKSUCFENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-8-9-18(12-6-7-12)15(19)13-10-14(20-17-13)11-4-2-1-3-5-11/h1-5,12,14H,6-7,9-10H2.
What are the key properties of N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47462354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).