4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole

C13H15ClFNO — CID 143728780

IUPAC4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C13H15ClFNO/c1-3-4-12-16-13(2,8-17-12)9-5-6-11(15)10(14)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyXVRWEUFMEPLKQP-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.92
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole

4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (PubChem CID 143728780) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
PubChem CID143728780
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C13H15ClFNO/c1-3-4-12-16-13(2,8-17-12)9-5-6-11(15)10(14)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyXVRWEUFMEPLKQP-UHFFFAOYSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323667
4-(2-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323697
(4S)-4-(4-chloro-3-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323711
(S)-4-(3-chloro-5-fluoro-phenyl)-4-methyl-4,5-dihydro-oxazol-2-ylamine
CID 59323715
4-(3-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323742
(4S)-4-(5-chloro-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323760
2,4-dimethyl-4-phenyl-5H-1,3-oxazole
CID 70189853
2-[[3-chloro-4-(2,4-difluorophenyl)phenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 21406744
(4R)-4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323726
4-(3-chloro-4-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 65586156
(3R,6R)-3-(5-chloro-2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
CID 68110279
3-(3-Chloro-2-fluorophenyl)-3-oxetanamine
CID 68283621

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole (CID 143728780) is 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is CCCC1=NC(C)(c2ccc(F)c(Cl)c2)CO1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
The InChIKey is XVRWEUFMEPLKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-3-4-12-16-13(2,8-17-12)9-5-6-11(15)10(14)7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole?
4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole has a molecular weight of 255.72 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole is sourced from PubChem (CID 143728780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).