5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole

C13H13ClFNO — CID 90395034

IUPAC5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C13H13ClFNO/c1-8(2)13-16-7-10(17-13)6-9-4-3-5-11(14)12(9)15/h3-5,7-8H,6H2,1-2H3
InChIKeyBRZKJYUNIVSHAF-UHFFFAOYSA-N
MW253.70 g/mol
LogP4.18
Rot. Bonds3

About 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole

5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 90395034) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
PubChem CID90395034
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C13H13ClFNO/c1-8(2)13-16-7-10(17-13)6-9-4-3-5-11(14)12(9)15/h3-5,7-8H,6H2,1-2H3
InChIKeyBRZKJYUNIVSHAF-UHFFFAOYSA-N
XLogP4.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90396876
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749
1-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 82802562
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 82806358
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
CID 58626672
2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415638
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667
1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
CID 102858323
1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene
CID 102862274

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole (CID 90395034) is 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole is CC(C)c1ncc(Cc2cccc(Cl)c2F)o1.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is BRZKJYUNIVSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-8(2)13-16-7-10(17-13)6-9-4-3-5-11(14)12(9)15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole?
5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 253.70 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 90395034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).