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

C15H12ClN3O3 — CID 6459013

IUPACN-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12ClN3O3/c1-9(17-14(20)12-3-2-8-21-12)15-18-13(19-22-15)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,17,20)
InChIKeyBEPQPIAVCRTXFM-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.47
Rot. Bonds4

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

N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 6459013) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID6459013
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12ClN3O3/c1-9(17-14(20)12-3-2-8-21-12)15-18-13(19-22-15)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,17,20)
InChIKeyBEPQPIAVCRTXFM-UHFFFAOYSA-N
XLogP3.47
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 93140344
N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723590
N-[1-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53112536
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 46380476
N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723591
N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 95083510
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
N-[1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 71921726
N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 53163802
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 90414461

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 6459013) is N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is BEPQPIAVCRTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-9(17-14(20)12-3-2-8-21-12)15-18-13(19-22-15)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,17,20).
What are the key properties of N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 317.73 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6459013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).