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

C12H14N4O3 — CID 136538736

IUPACN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccon1
InChIInChI=1S/C12H14N4O3/c17-12(9-3-5-19-16-9)13-11-6-10(14-15-11)8-2-1-4-18-7-8/h3,5-6,8H,1-2,4,7H2,(H2,13,14,15,17)
InChIKeyIICRDKBJKPYECF-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.54
Rot. Bonds3

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

N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 136538736) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID136538736
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccon1
InChIInChI=1S/C12H14N4O3/c17-12(9-3-5-19-16-9)13-11-6-10(14-15-11)8-2-1-4-18-7-8/h3,5-6,8H,1-2,4,7H2,(H2,13,14,15,17)
InChIKeyIICRDKBJKPYECF-UHFFFAOYSA-N
XLogP1.54
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 138017040
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
CID 136543616
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
CID 166268582
N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
CID 119794227
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167928323
2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 166220350
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methylpyridine-3-carboxamide
CID 174055179
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169
1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
CID 170287229

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 136538736) is N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccon1.
What is the InChIKey of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is IICRDKBJKPYECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-12(9-3-5-19-16-9)13-11-6-10(14-15-11)8-2-1-4-18-7-8/h3,5-6,8H,1-2,4,7H2,(H2,13,14,15,17).
What are the key properties of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 136538736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).