(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone

C20H16F2N2O2 — CID 99577930

IUPAC(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCCc2c(F)ccc(F)c21
InChIInChI=1S/C20H16F2N2O2/c1-12-18(26-19(23-12)13-6-3-2-4-7-13)20(25)24-11-5-8-14-15(21)9-10-16(22)17(14)24/h2-4,6-7,9-10H,5,8,11H2,1H3
InChIKeyOKFQZFFLOPNXKU-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.52
Rot. Bonds2

About (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone

(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 99577930) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID99577930
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCCc2c(F)ccc(F)c21
InChIInChI=1S/C20H16F2N2O2/c1-12-18(26-19(23-12)13-6-3-2-4-7-13)20(25)24-11-5-8-14-15(21)9-10-16(22)17(14)24/h2-4,6-7,9-10H,5,8,11H2,1H3
InChIKeyOKFQZFFLOPNXKU-UHFFFAOYSA-N
XLogP4.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone (CID 99577930) is (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone is Cc1nc(-c2ccccc2)oc1C(=O)N1CCCc2c(F)ccc(F)c21.
What is the InChIKey of (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is OKFQZFFLOPNXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-12-18(26-19(23-12)13-6-3-2-4-7-13)20(25)24-11-5-8-14-15(21)9-10-16(22)17(14)24/h2-4,6-7,9-10H,5,8,11H2,1H3.
What are the key properties of (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 354.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 99577930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).