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

C16H14ClN3O3 — CID 1251838

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccco1
InChIInChI=1S/C16H14ClN3O3/c17-13-6-2-1-5-12(13)16-19-15(23-20-16)8-7-14(21)18-10-11-4-3-9-22-11/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyXIFBEQMDAMARLJ-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.23
Rot. Bonds6

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

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 1251838) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID1251838
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccco1
InChIInChI=1S/C16H14ClN3O3/c17-13-6-2-1-5-12(13)16-19-15(23-20-16)8-7-14(21)18-10-11-4-3-9-22-11/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyXIFBEQMDAMARLJ-UHFFFAOYSA-N
XLogP3.23
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Triazine-4-carboxamide, 6
CID 44520931
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide
CID 2990373
N-{1-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-YL]ethyl}furan-2-carboxamide
CID 6458057
N-{1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-furamide
CID 6458740
Furan-2-carboxylic acid (3-o-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amide
CID 6460613
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6461363
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 6462763
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 6464046
2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide
CID 6473228
N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 665591
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 1828296

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide (CID 1251838) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide is O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccco1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is XIFBEQMDAMARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-13-6-2-1-5-12(13)16-19-15(23-20-16)8-7-14(21)18-10-11-4-3-9-22-11/h1-6,9H,7-8,10H2,(H,18,21).
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 331.76 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 1251838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).