1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one

C19H22FNO4 — CID 159404084

IUPAC1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
SMILESCc1c(C(=O)CCC2CCOC2)noc1COCc1ccccc1F
InChIInChI=1S/C19H22FNO4/c1-13-18(12-24-11-15-4-2-3-5-16(15)20)25-21-19(13)17(22)7-6-14-8-9-23-10-14/h2-5,14H,6-12H2,1H3
InChIKeyLNSNOLSQKJFKRW-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.84
Rot. Bonds8

About 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one

1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one (PubChem CID 159404084) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
PubChem CID159404084
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
SMILESCc1c(C(=O)CCC2CCOC2)noc1COCc1ccccc1F
InChIInChI=1S/C19H22FNO4/c1-13-18(12-24-11-15-4-2-3-5-16(15)20)25-21-19(13)17(22)7-6-14-8-9-23-10-14/h2-5,14H,6-12H2,1H3
InChIKeyLNSNOLSQKJFKRW-UHFFFAOYSA-N
XLogP3.84
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
The IUPAC name of 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one (CID 159404084) is 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one is Cc1c(C(=O)CCC2CCOC2)noc1COCc1ccccc1F.
What is the InChIKey of 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
The InChIKey is LNSNOLSQKJFKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-13-18(12-24-11-15-4-2-3-5-16(15)20)25-21-19(13)17(22)7-6-14-8-9-23-10-14/h2-5,14H,6-12H2,1H3.
What are the key properties of 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one has a molecular weight of 347.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 159404084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).