N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide

C14H12N4O2 — CID 134700846

IUPACN-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C14H12N4O2/c1-18-8-7-15-14(18)16-13(19)12-9-11(17-20-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16,19)
InChIKeyNELLRRNNSRCOHR-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.33
Rot. Bonds3

About N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide

N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 134700846) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID134700846
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C14H12N4O2/c1-18-8-7-15-14(18)16-13(19)12-9-11(17-20-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16,19)
InChIKeyNELLRRNNSRCOHR-UHFFFAOYSA-N
XLogP2.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 134700846) is N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide is Cn1ccnc1NC(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is NELLRRNNSRCOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-8-7-15-14(18)16-13(19)12-9-11(17-20-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16,19).
What are the key properties of N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134700846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).