(4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

C14H8BrClFN3O2 — CID 5057741

IUPAC(4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)n1cc(Br)cn1
InChIInChI=1S/C14H8BrClFN3O2/c1-7-11(14(21)20-6-8(15)5-18-20)13(19-22-7)12-9(16)3-2-4-10(12)17/h2-6H,1H3
InChIKeyPCFCPCBDNMQZOB-UHFFFAOYSA-N
MW384.59 g/mol
LogP4.09
Rot. Bonds2

About (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

(4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (PubChem CID 5057741) has the molecular formula C14H8BrClFN3O2 and a molecular weight of 384.59 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
PubChem CID5057741
Molecular FormulaC14H8BrClFN3O2
Molecular Weight384.59 g/mol
Exact Mass382.95
IUPAC Name(4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)n1cc(Br)cn1
InChIInChI=1S/C14H8BrClFN3O2/c1-7-11(14(21)20-6-8(15)5-18-20)13(19-22-7)12-9(16)3-2-4-10(12)17/h2-6H,1H3
InChIKeyPCFCPCBDNMQZOB-UHFFFAOYSA-N
XLogP4.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (CID 5057741) is (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)n1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The InChIKey is PCFCPCBDNMQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFN3O2/c1-7-11(14(21)20-6-8(15)5-18-20)13(19-22-7)12-9(16)3-2-4-10(12)17/h2-6H,1H3.
What are the key properties of (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
(4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone has a molecular weight of 384.59 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrazol-1-yl)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 5057741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).