3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide

C21H23N3O3 — CID 175642486

IUPAC3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCC(Oc2ccc3ncccc3c2)CC1
InChIInChI=1S/C21H23N3O3/c1-13-20(14(2)27-24-13)21(25)23-16-5-7-17(8-6-16)26-18-9-10-19-15(12-18)4-3-11-22-19/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,23,25)
InChIKeyRAOYKZNCDZELLQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.96
Rot. Bonds4

About 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide (PubChem CID 175642486) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
PubChem CID175642486
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCC(Oc2ccc3ncccc3c2)CC1
InChIInChI=1S/C21H23N3O3/c1-13-20(14(2)27-24-13)21(25)23-16-5-7-17(8-6-16)26-18-9-10-19-15(12-18)4-3-11-22-19/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,23,25)
InChIKeyRAOYKZNCDZELLQ-UHFFFAOYSA-N
XLogP3.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
CID 176505850
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
3,5-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 124573326
3,5-dimethyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,2-oxazole-4-carboxamide
CID 167099511
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
6-(azepan-4-yloxy)quinoline
CID 117051458
6-(azetidin-3-yloxy)quinoline;hydrochloride
CID 86262635
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide (CID 175642486) is 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CCC(Oc2ccc3ncccc3c2)CC1.
What is the InChIKey of 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RAOYKZNCDZELLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-20(14(2)27-24-13)21(25)23-16-5-7-17(8-6-16)26-18-9-10-19-15(12-18)4-3-11-22-19/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,23,25).
What are the key properties of 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-quinolin-6-yloxycyclohexyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175642486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).