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

C14H10ClN3O3 — CID 2987140

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccco1
InChIInChI=1S/C14H10ClN3O3/c15-10-5-3-9(4-6-10)13-17-12(21-18-13)8-16-14(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,19)
InChIKeyXVILCRYTSQUNHJ-UHFFFAOYSA-N
MW303.71 g/mol
LogP2.91
Rot. Bonds4

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 2987140) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID2987140
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccco1
InChIInChI=1S/C14H10ClN3O3/c15-10-5-3-9(4-6-10)13-17-12(21-18-13)8-16-14(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,19)
InChIKeyXVILCRYTSQUNHJ-UHFFFAOYSA-N
XLogP2.91
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 2987140) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccco1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is XVILCRYTSQUNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-10-5-3-9(4-6-10)13-17-12(21-18-13)8-16-14(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,19).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 303.71 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 2987140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).