N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C16H13ClN2O3 — CID 110682415

IUPACN-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccco2)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c1-10-14(15(19-22-10)13-3-2-8-21-13)16(20)18-9-11-4-6-12(17)7-5-11/h2-8H,9H2,1H3,(H,18,20)
InChIKeyWIPGNCXOGNGGKT-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.83
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110682415) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110682415
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccco2)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c1-10-14(15(19-22-10)13-3-2-8-21-13)16(20)18-9-11-4-6-12(17)7-5-11/h2-8H,9H2,1H3,(H,18,20)
InChIKeyWIPGNCXOGNGGKT-UHFFFAOYSA-N
XLogP3.83
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682416
3-(2-chlorophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91630452
N-(3-chlorophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682474
3-(furan-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 110682399
3-(furan-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110682397
3-(2-chloro-6-fluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33305648
N-benzyl-3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 136589669
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 110682415) is N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccco2)c1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WIPGNCXOGNGGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-10-14(15(19-22-10)13-3-2-8-21-13)16(20)18-9-11-4-6-12(17)7-5-11/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 316.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110682415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).