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

C19H20N4O3 — CID 121145260

IUPACN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCCCO2)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H20N4O3/c24-19(17-10-18(26-22-17)14-6-2-1-3-7-14)21-15-11-20-23(12-15)13-16-8-4-5-9-25-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,21,24)
InChIKeyCNFZSPRPHQPTRC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.36
Rot. Bonds5

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

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 121145260) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID121145260
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(CC2CCCCO2)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H20N4O3/c24-19(17-10-18(26-22-17)14-6-2-1-3-7-14)21-15-11-20-23(12-15)13-16-8-4-5-9-25-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,21,24)
InChIKeyCNFZSPRPHQPTRC-UHFFFAOYSA-N
XLogP3.36
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 60557435
5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 129355510
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 119099714
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 121145260) is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(CC2CCCCO2)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is CNFZSPRPHQPTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(17-10-18(26-22-17)14-6-2-1-3-7-14)21-15-11-20-23(12-15)13-16-8-4-5-9-25-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,21,24).
What are the key properties of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121145260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).