3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide

C18H19N3O3 — CID 127266617

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccc2cccnc2c1O
InChIInChI=1S/C18H19N3O3/c1-11-15(12(2)24-21-11)7-8-16(22)20-10-14-6-5-13-4-3-9-19-17(13)18(14)23/h3-6,9,23H,7-8,10H2,1-2H3,(H,20,22)
InChIKeyUFJOLDPALBJCJA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.79
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide (PubChem CID 127266617) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide
PubChem CID127266617
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccc2cccnc2c1O
InChIInChI=1S/C18H19N3O3/c1-11-15(12(2)24-21-11)7-8-16(22)20-10-14-6-5-13-4-3-9-19-17(13)18(14)23/h3-6,9,23H,7-8,10H2,1-2H3,(H,20,22)
InChIKeyUFJOLDPALBJCJA-UHFFFAOYSA-N
XLogP2.79
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-nitrophenyl)methyl]propanamide
CID 87004960
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
CID 74236898
N-(quinolin-8-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71883233
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119182646
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide
CID 39317619
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide (CID 127266617) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide is Cc1noc(C)c1CCC(=O)NCc1ccc2cccnc2c1O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide?
The InChIKey is UFJOLDPALBJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-15(12(2)24-21-11)7-8-16(22)20-10-14-6-5-13-4-3-9-19-17(13)18(14)23/h3-6,9,23H,7-8,10H2,1-2H3,(H,20,22).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide is sourced from PubChem (CID 127266617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).