N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C13H16N2O3 — CID 5308926

IUPACN-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccco2)no1
InChIInChI=1S/C13H16N2O3/c1-9(2)6-11-7-12(15-18-11)13(16)14-8-10-4-3-5-17-10/h3-5,7,9H,6,8H2,1-2H3,(H,14,16)
InChIKeyKQCDCCSSIRPTFC-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.40
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5308926) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5308926
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccco2)no1
InChIInChI=1S/C13H16N2O3/c1-9(2)6-11-7-12(15-18-11)13(16)14-8-10-4-3-5-17-10/h3-5,7,9H,6,8H2,1-2H3,(H,14,16)
InChIKeyKQCDCCSSIRPTFC-UHFFFAOYSA-N
XLogP2.40
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5307986
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71876869
5-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23735039
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 134018346
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 5308926) is N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCc2ccco2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KQCDCCSSIRPTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(2)6-11-7-12(15-18-11)13(16)14-8-10-4-3-5-17-10/h3-5,7,9H,6,8H2,1-2H3,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).