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

C17H13ClFN3O2 — CID 3821344

IUPAC[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)n1ccc(C2CC2)n1
InChIInChI=1S/C17H13ClFN3O2/c1-9-14(17(23)22-8-7-13(20-22)10-5-6-10)16(21-24-9)15-11(18)3-2-4-12(15)19/h2-4,7-8,10H,5-6H2,1H3
InChIKeyWAPGQBZWEJHZOC-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.20
Rot. Bonds3

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

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone (PubChem CID 3821344) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone
PubChem CID3821344
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)n1ccc(C2CC2)n1
InChIInChI=1S/C17H13ClFN3O2/c1-9-14(17(23)22-8-7-13(20-22)10-5-6-10)16(21-24-9)15-11(18)3-2-4-12(15)19/h2-4,7-8,10H,5-6H2,1H3
InChIKeyWAPGQBZWEJHZOC-UHFFFAOYSA-N
XLogP4.20
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 120660254
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 52726149
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 95269639
[3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]pyrazol-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 4268978
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone;hydrochloride
CID 119517807
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 2797972
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 50809168
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 93070162
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-hydroxyphenyl)methanone
CID 2805212
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 50746969

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone (CID 3821344) is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)n1ccc(C2CC2)n1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone?
The InChIKey is WAPGQBZWEJHZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-9-14(17(23)22-8-7-13(20-22)10-5-6-10)16(21-24-9)15-11(18)3-2-4-12(15)19/h2-4,7-8,10H,5-6H2,1H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone?
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone has a molecular weight of 345.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone is sourced from PubChem (CID 3821344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).