N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

C17H14ClN3O4 — CID 90515222

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C17H14ClN3O4/c18-12-5-3-11(4-6-12)7-8-19-15(22)13-10-25-17(20-13)21-16(23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,22)(H,20,21,23)
InChIKeyVHRFHFAZGWCCRJ-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515222) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID90515222
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C17H14ClN3O4/c18-12-5-3-11(4-6-12)7-8-19-15(22)13-10-25-17(20-13)21-16(23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,22)(H,20,21,23)
InChIKeyVHRFHFAZGWCCRJ-UHFFFAOYSA-N
XLogP3.15
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515090
2-(furan-2-carbonylamino)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 90515253
2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 90515066
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 90515122
2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
CID 90515091
N-[4-[[[N-[2-(4-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111196246
N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515175
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
2-(furan-2-carbonylamino)-N-(4-sulfamoylphenyl)-1,3-oxazole-4-carboxamide
CID 90515186

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515222) is N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1coc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is VHRFHFAZGWCCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c18-12-5-3-11(4-6-12)7-8-19-15(22)13-10-25-17(20-13)21-16(23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,22)(H,20,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).