4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide

C20H15N3O3 — CID 71982272

IUPAC4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1
InChIInChI=1S/C20H15N3O3/c1-13-19(25-12-22-13)20(24)23-14-6-8-15(9-7-14)26-18-10-11-21-17-5-3-2-4-16(17)18/h2-12H,1H3,(H,23,24)
InChIKeyCKTDKCVGBIRHKS-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.58
Rot. Bonds4

About 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide

4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 71982272) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide
PubChem CID71982272
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1
InChIInChI=1S/C20H15N3O3/c1-13-19(25-12-22-13)20(24)23-14-6-8-15(9-7-14)26-18-10-11-21-17-5-3-2-4-16(17)18/h2-12H,1H3,(H,23,24)
InChIKeyCKTDKCVGBIRHKS-UHFFFAOYSA-N
XLogP4.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 130296636
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
CID 53329942
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
2-imidazol-1-yl-N-(4-quinolin-4-yloxyphenyl)acetamide
CID 71984235
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
4-methyl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110686212
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
4-(3-methylphenoxy)quinoline
CID 12798303
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
CID 166187393
N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
CID 155778849
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide (CID 71982272) is 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is CKTDKCVGBIRHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-13-19(25-12-22-13)20(24)23-14-6-8-15(9-7-14)26-18-10-11-21-17-5-3-2-4-16(17)18/h2-12H,1H3,(H,23,24).
What are the key properties of 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide?
4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71982272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).