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

C16H13ClN2O3 — CID 126469074

IUPAC5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c17-12-5-3-11(4-6-12)15-14(19-10-22-15)16(20)18-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyAFKIJCIMTYTRDS-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.56
Rot. Bonds5

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

5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 126469074) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID126469074
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3/c17-12-5-3-11(4-6-12)15-14(19-10-22-15)16(20)18-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyAFKIJCIMTYTRDS-UHFFFAOYSA-N
XLogP3.56
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46958823
1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 50772791
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768719
4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
CID 18162412
methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342
5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459040
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768758
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 126469074) is 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1ccco1)c1ncoc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AFKIJCIMTYTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-12-5-3-11(4-6-12)15-14(19-10-22-15)16(20)18-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,18,20).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 316.74 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126469074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).