5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C17H18N4O4 — CID 121016949

IUPAC5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCCCO2)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H18N4O4/c22-17(14-8-16(25-20-14)15-5-3-7-24-15)19-12-9-18-21(10-12)11-13-4-1-2-6-23-13/h3,5,7-10,13H,1-2,4,6,11H2,(H,19,22)
InChIKeyBPGSFZIHZSSLRI-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.95
Rot. Bonds5

About 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 121016949) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID121016949
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCCCO2)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H18N4O4/c22-17(14-8-16(25-20-14)15-5-3-7-24-15)19-12-9-18-21(10-12)11-13-4-1-2-6-23-13/h3,5,7-10,13H,1-2,4,6,11H2,(H,19,22)
InChIKeyBPGSFZIHZSSLRI-UHFFFAOYSA-N
XLogP2.95
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 129355510
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 119099714
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 60557435
5-(furan-2-yl)-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97427973
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911590
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 121016949) is 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(CC2CCCCO2)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is BPGSFZIHZSSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-17(14-8-16(25-20-14)15-5-3-7-24-15)19-12-9-18-21(10-12)11-13-4-1-2-6-23-13/h3,5,7-10,13H,1-2,4,6,11H2,(H,19,22).
What are the key properties of 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121016949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).