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

C16H15N3O3 — CID 6461363

IUPACN-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(C(C)NC(=O)c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O3/c1-10-5-3-6-12(9-10)14-18-16(22-19-14)11(2)17-15(20)13-7-4-8-21-13/h3-9,11H,1-2H3,(H,17,20)
InChIKeyVTMDKIHWUOEBBU-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.13
Rot. Bonds4

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

N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 6461363) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID6461363
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(C(C)NC(=O)c3ccco3)n2)c1
InChIInChI=1S/C16H15N3O3/c1-10-5-3-6-12(9-10)14-18-16(22-19-14)11(2)17-15(20)13-7-4-8-21-13/h3-9,11H,1-2H3,(H,17,20)
InChIKeyVTMDKIHWUOEBBU-UHFFFAOYSA-N
XLogP3.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.13
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
N-[(2R)-1-[4-[3-[3-fluoro-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44374397
Triazine-4-carboxamide, 8
CID 44520933
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
Furan-2-carboxylic acid (3-o-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amide
CID 6460613

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 6461363) is N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is Cc1cccc(-c2noc(C(C)NC(=O)c3ccco3)n2)c1.
What is the InChIKey of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is VTMDKIHWUOEBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-5-3-6-12(9-10)14-18-16(22-19-14)11(2)17-15(20)13-7-4-8-21-13/h3-9,11H,1-2H3,(H,17,20).
What are the key properties of N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6461363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).