N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H16N2O3 — CID 119103341

IUPACN-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C17H16N2O3/c1-11-16(12(2)22-19-11)17(20)18-9-13-3-5-14(6-4-13)15-7-8-21-10-15/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyVPXTVCVFXQTPEU-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.48
Rot. Bonds4

About N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 119103341) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID119103341
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C17H16N2O3/c1-11-16(12(2)22-19-11)17(20)18-9-13-3-5-14(6-4-13)15-7-8-21-10-15/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyVPXTVCVFXQTPEU-UHFFFAOYSA-N
XLogP3.48
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 75459913
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121022451
2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308
3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110409295
3-(2-chlorophenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121196657
2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103328
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743
N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
CID 121020532

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 119103341) is N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1ccc(-c2ccoc2)cc1.
What is the InChIKey of N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is VPXTVCVFXQTPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-16(12(2)22-19-11)17(20)18-9-13-3-5-14(6-4-13)15-7-8-21-10-15/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119103341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).