3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide

C23H26N4O3 — CID 51133124

IUPAC3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)on1
InChIInChI=1S/C23H26N4O3/c1-14(2)20-13-18(17-6-4-5-7-19(17)25-20)23(29)27-10-8-16(9-11-27)24-22(28)21-12-15(3)26-30-21/h4-7,12-14,16H,8-11H2,1-3H3,(H,24,28)
InChIKeyWJCRUMRJRHYRTR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.69
Rot. Bonds4

About 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide

3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 51133124) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID51133124
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)on1
InChIInChI=1S/C23H26N4O3/c1-14(2)20-13-18(17-6-4-5-7-19(17)25-20)23(29)27-10-8-16(9-11-27)24-22(28)21-12-15(3)26-30-21/h4-7,12-14,16H,8-11H2,1-3H3,(H,24,28)
InChIKeyWJCRUMRJRHYRTR-UHFFFAOYSA-N
XLogP3.69
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089070
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78875642
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
CID 24617778
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119493389
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 33300625
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26692426
3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 51133124) is 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)on1.
What is the InChIKey of 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is WJCRUMRJRHYRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(2)20-13-18(17-6-4-5-7-19(17)25-20)23(29)27-10-8-16(9-11-27)24-22(28)21-12-15(3)26-30-21/h4-7,12-14,16H,8-11H2,1-3H3,(H,24,28).
What are the key properties of 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51133124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).