2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide

C18H18N2O4 — CID 25162674

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C18H18N2O4/c1-12-16(13(2)24-20-12)11-23-17-8-4-3-7-15(17)18(21)19-10-14-6-5-9-22-14/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyOXCLVONTEYBDKC-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.39
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide (PubChem CID 25162674) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
PubChem CID25162674
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C18H18N2O4/c1-12-16(13(2)24-20-12)11-23-17-8-4-3-7-15(17)18(21)19-10-14-6-5-9-22-14/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyOXCLVONTEYBDKC-UHFFFAOYSA-N
XLogP3.39
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 16193473
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
N-(furan-2-ylmethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 822408
N-(furan-2-ylmethyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CID 3243881
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-6-(2-furyl)-3-isobutyl-piperazin-2-one
CID 68158489
(3R,4R,5S)-4-acetamido-5-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methylamino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 155438988
N-(2-furylmethyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093774
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide
CID 2103554
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2477230
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 2557396

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide (CID 25162674) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is OXCLVONTEYBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-16(13(2)24-20-12)11-23-17-8-4-3-7-15(17)18(21)19-10-14-6-5-9-22-14/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 326.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 25162674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).