5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

C23H29N5O3 — CID 46968967

IUPAC5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc(-c3cnn(C)c3C)on2)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H29N5O3/c1-16-20(14-24-27(16)3)22-13-21(25-31-22)23(29)28(18-9-11-26(2)12-10-18)15-17-5-7-19(30-4)8-6-17/h5-8,13-14,18H,9-12,15H2,1-4H3
InChIKeyULVXQXWCKSWBET-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.13
Rot. Bonds6

About 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46968967) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID46968967
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc(-c3cnn(C)c3C)on2)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H29N5O3/c1-16-20(14-24-27(16)3)22-13-21(25-31-22)23(29)28(18-9-11-26(2)12-10-18)15-17-5-7-19(30-4)8-6-17/h5-8,13-14,18H,9-12,15H2,1-4H3
InChIKeyULVXQXWCKSWBET-UHFFFAOYSA-N
XLogP3.13
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811217
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 41008428
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95219384
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651
5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 92560797
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17013291
2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568
3-(3,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
CID 4105353
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 78811219

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (CID 46968967) is 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is COc1ccc(CN(C(=O)c2cc(-c3cnn(C)c3C)on2)C2CCN(C)CC2)cc1.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ULVXQXWCKSWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16-20(14-24-27(16)3)22-13-21(25-31-22)23(29)28(18-9-11-26(2)12-10-18)15-17-5-7-19(30-4)8-6-17/h5-8,13-14,18H,9-12,15H2,1-4H3.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46968967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).