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

C14H18N4O3 — CID 60544723

IUPAC3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H18N4O3/c1-9-13(10(2)21-17-9)14(19)16-11-6-15-18(7-11)8-12-4-3-5-20-12/h6-7,12H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyFKXWHJWQIUZUMS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.92
Rot. Bonds4

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

3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide (PubChem CID 60544723) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
PubChem CID60544723
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H18N4O3/c1-9-13(10(2)21-17-9)14(19)16-11-6-15-18(7-11)8-12-4-3-5-20-12/h6-7,12H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyFKXWHJWQIUZUMS-UHFFFAOYSA-N
XLogP1.92
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide
CID 136578250
3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 92632233
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 121145254
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 60544430

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide (CID 60544723) is 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is FKXWHJWQIUZUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-13(10(2)21-17-9)14(19)16-11-6-15-18(7-11)8-12-4-3-5-20-12/h6-7,12H,3-5,8H2,1-2H3,(H,16,19).
What are the key properties of 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60544723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).