1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone

C18H18FN3O2 — CID 164719456

IUPAC1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone
SMILESCCn1cc(Cc2c(C)noc2-c2ccc(F)cc2C(C)=O)cn1
InChIInChI=1S/C18H18FN3O2/c1-4-22-10-13(9-20-22)7-16-11(2)21-24-18(16)15-6-5-14(19)8-17(15)12(3)23/h5-6,8-10H,4,7H2,1-3H3
InChIKeyAYSQCQAARYCBQR-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone

1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone (PubChem CID 164719456) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone
PubChem CID164719456
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone
SMILESCCn1cc(Cc2c(C)noc2-c2ccc(F)cc2C(C)=O)cn1
InChIInChI=1S/C18H18FN3O2/c1-4-22-10-13(9-20-22)7-16-11(2)21-24-18(16)15-6-5-14(19)8-17(15)12(3)23/h5-6,8-10H,4,7H2,1-3H3
InChIKeyAYSQCQAARYCBQR-UHFFFAOYSA-N
XLogP3.80
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone (CID 164719456) is 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone is CCn1cc(Cc2c(C)noc2-c2ccc(F)cc2C(C)=O)cn1.
What is the InChIKey of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone?
The InChIKey is AYSQCQAARYCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-4-22-10-13(9-20-22)7-16-11(2)21-24-18(16)15-6-5-14(19)8-17(15)12(3)23/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone?
1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone has a molecular weight of 327.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-1,2-oxazol-5-yl]-5-fluorophenyl]ethanone is sourced from PubChem (CID 164719456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).