[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C22H21FN2O3 — CID 19445381

IUPAC[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1noc(C)c1COc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-14-5-10-20-16(12-14)4-3-11-25(20)22(26)21-19(15(2)28-24-21)13-27-18-8-6-17(23)7-9-18/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyVNFJMYXOWLBUPB-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.60
Rot. Bonds4

About [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 19445381) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID19445381
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1noc(C)c1COc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-14-5-10-20-16(12-14)4-3-11-25(20)22(26)21-19(15(2)28-24-21)13-27-18-8-6-17(23)7-9-18/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyVNFJMYXOWLBUPB-UHFFFAOYSA-N
XLogP4.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
1-[9-[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133067815
1-[11-[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-3-methylbutan-1-one
CID 133066938
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 19442438
1-[9-[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]-2-methoxyethanone
CID 133070499
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872913
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623168
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19445250
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507
(2,5-dimethylfuran-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 27212095
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 19445381) is [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1noc(C)c1COc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is VNFJMYXOWLBUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-14-5-10-20-16(12-14)4-3-11-25(20)22(26)21-19(15(2)28-24-21)13-27-18-8-6-17(23)7-9-18/h5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 380.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 19445381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).