5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide

C21H23N3O3 — CID 72944201

IUPAC5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Oc3ccnc4ccccc34)CC2)no1
InChIInChI=1S/C21H23N3O3/c1-14-12-19(24-27-14)21(25)23-13-15-6-8-16(9-7-15)26-20-10-11-22-18-5-3-2-4-17(18)20/h2-5,10-12,15-16H,6-9,13H2,1H3,(H,23,25)
InChIKeyZXIJUQZCPPJBSO-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.90
Rot. Bonds5

About 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 72944201) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID72944201
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Oc3ccnc4ccccc34)CC2)no1
InChIInChI=1S/C21H23N3O3/c1-14-12-19(24-27-14)21(25)23-13-15-6-8-16(9-7-15)26-20-10-11-22-18-5-3-2-4-17(18)20/h2-5,10-12,15-16H,6-9,13H2,1H3,(H,23,25)
InChIKeyZXIJUQZCPPJBSO-UHFFFAOYSA-N
XLogP3.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide (CID 72944201) is 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2CCC(Oc3ccnc4ccccc34)CC2)no1.
What is the InChIKey of 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZXIJUQZCPPJBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-12-19(24-27-14)21(25)23-13-15-6-8-16(9-7-15)26-20-10-11-22-18-5-3-2-4-17(18)20/h2-5,10-12,15-16H,6-9,13H2,1H3,(H,23,25).
What are the key properties of 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-quinolin-4-yloxycyclohexyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72944201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).