4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole

C21H15ClF2N2O2 — CID 150379653

IUPAC4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole
SMILESCOc1ccc(C2(c3ccc(F)c(-c4cncc(F)c4)c3)COC=N2)cc1Cl
InChIInChI=1S/C21H15ClF2N2O2/c1-27-20-5-3-15(8-18(20)22)21(11-28-12-26-21)14-2-4-19(24)17(7-14)13-6-16(23)10-25-9-13/h2-10,12H,11H2,1H3
InChIKeyGZLIPHXTIRRGHR-UHFFFAOYSA-N
MW400.81 g/mol
LogP4.99
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole

4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole (PubChem CID 150379653) has the molecular formula C21H15ClF2N2O2 and a molecular weight of 400.81 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole
PubChem CID150379653
Molecular FormulaC21H15ClF2N2O2
Molecular Weight400.81 g/mol
Exact Mass400.08
IUPAC Name4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole
SMILESCOc1ccc(C2(c3ccc(F)c(-c4cncc(F)c4)c3)COC=N2)cc1Cl
InChIInChI=1S/C21H15ClF2N2O2/c1-27-20-5-3-15(8-18(20)22)21(11-28-12-26-21)14-2-4-19(24)17(7-14)13-6-16(23)10-25-9-13/h2-10,12H,11H2,1H3
InChIKeyGZLIPHXTIRRGHR-UHFFFAOYSA-N
XLogP4.99
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole with MolForge

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Related Compounds

(4S)-4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-amine
CID 67345997
4-(3-fluoro-4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazole
CID 91605781
4-chloro-2-(5-fluoro-3-pyridinyl)aniline
CID 81275393
(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 67346114
5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128116
3-fluoro-5-[3-[2-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]phenyl]pyridine
CID 66847901
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole
CID 15592237
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole (CID 150379653) is 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole is COc1ccc(C2(c3ccc(F)c(-c4cncc(F)c4)c3)COC=N2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole?
The InChIKey is GZLIPHXTIRRGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2/c1-27-20-5-3-15(8-18(20)22)21(11-28-12-26-21)14-2-4-19(24)17(7-14)13-6-16(23)10-25-9-13/h2-10,12H,11H2,1H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole?
4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole has a molecular weight of 400.81 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 150379653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).