1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one

C17H18N2O2 — CID 71969968

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one
SMILESCC(C)(C)c1cnc(Cn2ccc(=O)c3ccccc32)o1
InChIInChI=1S/C17H18N2O2/c1-17(2,3)15-10-18-16(21-15)11-19-9-8-14(20)12-6-4-5-7-13(12)19/h4-10H,11H2,1-3H3
InChIKeyPDOYHQPYSAKEOJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.34
Rot. Bonds2

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one (PubChem CID 71969968) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one
PubChem CID71969968
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one
SMILESCC(C)(C)c1cnc(Cn2ccc(=O)c3ccccc32)o1
InChIInChI=1S/C17H18N2O2/c1-17(2,3)15-10-18-16(21-15)11-19-9-8-14(20)12-6-4-5-7-13(12)19/h4-10H,11H2,1-3H3
InChIKeyPDOYHQPYSAKEOJ-UHFFFAOYSA-N
XLogP3.34
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl]phenyl]formamide
CID 23428033
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 47055602
[4-[(5-Ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 75380550
(2-Aminophenyl)-[2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazol-5-yl]methanone
CID 23428034
(2-Aminophenyl)(2-ethyloxazol-5-yl)methanone
CID 60149302
N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline
CID 45840816
N-[3-[(1S)-1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]benzamide
CID 97794140
3-(5-Tert-butyl-1,3-oxazol-2-yl)-1-[(4-fluorophenyl)methyl]cinnolin-4-one
CID 25265104
3-[(5-Methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 70974623
N-ethyl-2-fluoro-N-[3-[methyl(1,3-oxazol-5-ylmethyl)amino]phenyl]benzamide
CID 167484884
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810126
5-(4-Fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 9029642

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one (CID 71969968) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one is CC(C)(C)c1cnc(Cn2ccc(=O)c3ccccc32)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one?
The InChIKey is PDOYHQPYSAKEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-17(2,3)15-10-18-16(21-15)11-19-9-8-14(20)12-6-4-5-7-13(12)19/h4-10H,11H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one is sourced from PubChem (CID 71969968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).