3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide

C18H14N4O3 — CID 167698553

IUPAC3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2onc(C#N)c2C)ccc1C
InChIInChI=1S/C18H14N4O3/c1-10-3-4-13(7-14(10)16(20)12-5-6-24-9-12)21-18(23)17-11(2)15(8-19)22-25-17/h3-7,9,20H,1-2H3,(H,21,23)/b20-16+
InChIKeyYAGLRIPGMVEOON-CAPFRKAQSA-N
MW334.34 g/mol
LogP3.42
Rot. Bonds4

About 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide

3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 167698553) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID167698553
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2onc(C#N)c2C)ccc1C
InChIInChI=1S/C18H14N4O3/c1-10-3-4-13(7-14(10)16(20)12-5-6-24-9-12)21-18(23)17-11(2)15(8-19)22-25-17/h3-7,9,20H,1-2H3,(H,21,23)/b20-16+
InChIKeyYAGLRIPGMVEOON-CAPFRKAQSA-N
XLogP3.42
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
CID 155482453
3-(furan-3-carboximidoyl)-4-methylaniline
CID 155482576
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-ethynyl-1,2-thiazole-3-carboxamide
CID 155574901
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
CID 155698826
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-4-cyano-1,3-dimethylpyrrole-2-carboxamide
CID 155575010
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 155135077

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 167698553) is 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide is [H]/N=C(\c1ccoc1)c1cc(NC(=O)c2onc(C#N)c2C)ccc1C.
What is the InChIKey of 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YAGLRIPGMVEOON-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-10-3-4-13(7-14(10)16(20)12-5-6-24-9-12)21-18(23)17-11(2)15(8-19)22-25-17/h3-7,9,20H,1-2H3,(H,21,23)/b20-16+.
What are the key properties of 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167698553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).