5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide

C16H22N4O3 — CID 163316177

IUPAC5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3C)on2)CC1
InChIInChI=1S/C16H22N4O3/c1-10-13(9-17-20(10)2)15-8-14(19-23-15)16(21)18-11-4-6-12(22-3)7-5-11/h8-9,11-12H,4-7H2,1-3H3,(H,18,21)
InChIKeyLKMOEOJJCHINML-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.07
Rot. Bonds4

About 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide

5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide (PubChem CID 163316177) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide
PubChem CID163316177
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3C)on2)CC1
InChIInChI=1S/C16H22N4O3/c1-10-13(9-17-20(10)2)15-8-14(19-23-15)16(21)18-11-4-6-12(22-3)7-5-11/h8-9,11-12H,4-7H2,1-3H3,(H,18,21)
InChIKeyLKMOEOJJCHINML-UHFFFAOYSA-N
XLogP2.07
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 25206166
US10889564, Example 13
CID 26396555
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
US10889564, Example 22
CID 129104683
US10889564, Example 30
CID 129104768
US10889564, Example 34
CID 129104776
US10889564, Example 29
CID 129104778
(2S)-N'-tert-butyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-N-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]butanediamide
CID 153140370

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide (CID 163316177) is 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide is COC1CCC(NC(=O)c2cc(-c3cnn(C)c3C)on2)CC1.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LKMOEOJJCHINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-13(9-17-20(10)2)15-8-14(19-23-15)16(21)18-11-4-6-12(22-3)7-5-11/h8-9,11-12H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide?
5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 163316177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).