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

C14H14N4O3 — CID 71797286

IUPACN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3ccco3)n(C)n2)no1
InChIInChI=1S/C14H14N4O3/c1-9-6-11(17-21-9)14(19)15-8-10-7-12(18(2)16-10)13-4-3-5-20-13/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyDCEAQRLGSMNJCH-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.91
Rot. Bonds4

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

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71797286) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71797286
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3ccco3)n(C)n2)no1
InChIInChI=1S/C14H14N4O3/c1-9-6-11(17-21-9)14(19)15-8-10-7-12(18(2)16-10)13-4-3-5-20-13/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyDCEAQRLGSMNJCH-UHFFFAOYSA-N
XLogP1.91
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71797286) is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2cc(-c3ccco3)n(C)n2)no1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DCEAQRLGSMNJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-6-11(17-21-9)14(19)15-8-10-7-12(18(2)16-10)13-4-3-5-20-13/h3-7H,8H2,1-2H3,(H,15,19).
What are the key properties of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).