N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide

C13H11N3O2 — CID 79479305

IUPACN-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H11N3O2/c1-9-12(18-8-15-9)13(17)16(2)11-5-3-4-10(6-11)7-14/h3-6,8H,1-2H3
InChIKeyMBBMFKMHUQJMGZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.13
Rot. Bonds2

About N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide

N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 79479305) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID79479305
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H11N3O2/c1-9-12(18-8-15-9)13(17)16(2)11-5-3-4-10(6-11)7-14/h3-6,8H,1-2H3
InChIKeyMBBMFKMHUQJMGZ-UHFFFAOYSA-N
XLogP2.13
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide (CID 79479305) is N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is MBBMFKMHUQJMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9-12(18-8-15-9)13(17)16(2)11-5-3-4-10(6-11)7-14/h3-6,8H,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79479305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).