3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C14H10FN3O3 — CID 6472980

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H10FN3O3/c15-10-5-3-9(4-6-10)12-17-14(21-18-12)13(19)16-8-11-2-1-7-20-11/h1-7H,8H2,(H,16,19)
InChIKeyZYEBRGGTJDCQDM-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.40
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6472980) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID6472980
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H10FN3O3/c15-10-5-3-9(4-6-10)12-17-14(21-18-12)13(19)16-8-11-2-1-7-20-11/h1-7H,8H2,(H,16,19)
InChIKeyZYEBRGGTJDCQDM-UHFFFAOYSA-N
XLogP2.40
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl)-7-phenylheptan-1-one
CID 24951002
N-[(2R)-1-[4-[3-[3-fluoro-4-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373975
N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44374124
N-[(2R)-1-[4-[3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44374162
Triazine-4-carboxamide, 7
CID 44520932
Triazine-4-carboxamide, 8
CID 44520933
Triazine-4-carboxamide, 9
CID 44520934
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 1251838
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
N-{1-[3-(4-Tert-butylphenyl)-1,2,4-oxadiazol-5-YL]ethyl}furan-2-carboxamide
CID 6459151

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 6472980) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccco1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZYEBRGGTJDCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-10-5-3-9(4-6-10)12-17-14(21-18-12)13(19)16-8-11-2-1-7-20-11/h1-7H,8H2,(H,16,19).
What are the key properties of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6472980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).