2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

C12H14N4O3 — CID 127905949

IUPAC2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1coc(C2CCOCC2)n1
InChIInChI=1S/C12H14N4O3/c17-11(15-9-5-13-14-6-9)10-7-19-12(16-10)8-1-3-18-4-2-8/h5-8H,1-4H2,(H,13,14)(H,15,17)
InChIKeyZNFBFJAYCKCSLY-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.54
Rot. Bonds3

About 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 127905949) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID127905949
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1coc(C2CCOCC2)n1
InChIInChI=1S/C12H14N4O3/c17-11(15-9-5-13-14-6-9)10-7-19-12(16-10)8-1-3-18-4-2-8/h5-8H,1-4H2,(H,13,14)(H,15,17)
InChIKeyZNFBFJAYCKCSLY-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-(4-bromo-1H-pyrazol-5-yl)-2-(oxan-4-yl)-1,3-oxazole-4-carboxamide
CID 128528087
2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide
CID 154789844
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-(6-carbamoyl-3-pyridinyl)-2-cyclobutyl-1,3-oxazole-4-carboxamide
CID 126784346
N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3860536
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369215
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate
CID 99842705

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 127905949) is 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is O=C(Nc1cn[nH]c1)c1coc(C2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZNFBFJAYCKCSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-11(15-9-5-13-14-6-9)10-7-19-12(16-10)8-1-3-18-4-2-8/h5-8H,1-4H2,(H,13,14)(H,15,17).
What are the key properties of 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-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 2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 127905949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).