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

C16H16N4O3 — CID 71797336

IUPAC5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(C3CC3)on2)cc1-c1ccco1
InChIInChI=1S/C16H16N4O3/c1-20-13(14-3-2-6-22-14)7-11(18-20)9-17-16(21)12-8-15(23-19-12)10-4-5-10/h2-3,6-8,10H,4-5,9H2,1H3,(H,17,21)
InChIKeyVXHMSDQTHNEQPP-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.48
Rot. Bonds5

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

5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 71797336) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID71797336
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCn1nc(CNC(=O)c2cc(C3CC3)on2)cc1-c1ccco1
InChIInChI=1S/C16H16N4O3/c1-20-13(14-3-2-6-22-14)7-11(18-20)9-17-16(21)12-8-15(23-19-12)10-4-5-10/h2-3,6-8,10H,4-5,9H2,1H3,(H,17,21)
InChIKeyVXHMSDQTHNEQPP-UHFFFAOYSA-N
XLogP2.48
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 71797336) is 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cn1nc(CNC(=O)c2cc(C3CC3)on2)cc1-c1ccco1.
What is the InChIKey of 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VXHMSDQTHNEQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-20-13(14-3-2-6-22-14)7-11(18-20)9-17-16(21)12-8-15(23-19-12)10-4-5-10/h2-3,6-8,10H,4-5,9H2,1H3,(H,17,21).
What are the key properties of 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).