N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C15H11ClN2O3 — CID 17253051

IUPACN-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H11ClN2O3/c1-9-10(16)4-2-5-11(9)17-15(19)12-8-14(21-18-12)13-6-3-7-20-13/h2-8H,1H3,(H,17,19)
InChIKeyFXRZKSCRXGWEBR-UHFFFAOYSA-N
MW302.72 g/mol
LogP4.15
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 17253051) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID17253051
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H11ClN2O3/c1-9-10(16)4-2-5-11(9)17-15(19)12-8-14(21-18-12)13-6-3-7-20-13/h2-8H,1H3,(H,17,19)
InChIKeyFXRZKSCRXGWEBR-UHFFFAOYSA-N
XLogP4.15
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 17253051) is N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is FXRZKSCRXGWEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-9-10(16)4-2-5-11(9)17-15(19)12-8-14(21-18-12)13-6-3-7-20-13/h2-8H,1H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).