1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one

C24H27NO4 — CID 157225884

IUPAC1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
SMILESCCc1c(C(=O)CCC2CCOC2)noc1COCc1ccc2ccccc2c1
InChIInChI=1S/C24H27NO4/c1-2-21-23(29-25-24(21)22(26)10-8-17-11-12-27-14-17)16-28-15-18-7-9-19-5-3-4-6-20(19)13-18/h3-7,9,13,17H,2,8,10-12,14-16H2,1H3
InChIKeyATNLYMRWUZWYIM-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.11
Rot. Bonds9

About 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one

1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one (PubChem CID 157225884) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
PubChem CID157225884
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
SMILESCCc1c(C(=O)CCC2CCOC2)noc1COCc1ccc2ccccc2c1
InChIInChI=1S/C24H27NO4/c1-2-21-23(29-25-24(21)22(26)10-8-17-11-12-27-14-17)16-28-15-18-7-9-19-5-3-4-6-20(19)13-18/h3-7,9,13,17H,2,8,10-12,14-16H2,1H3
InChIKeyATNLYMRWUZWYIM-UHFFFAOYSA-N
XLogP5.11
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one with MolForge

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Related Compounds

1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 159404084
4-formyl-5-(naphthalen-2-ylmethoxymethyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326211
1-[5-(naphthalen-2-ylmethylsulfanylmethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 161166609
1-[4-bromo-5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 148732374
4-[[(3S)-oxolan-3-yl]methyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 140818697
3-(oxolan-3-yl)-1-[5-(4-phenylbutoxymethyl)-1,2-oxazol-3-yl]propan-1-one
CID 148781589
4-formyl-5-(3-naphthalen-2-ylpropyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325773
3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one
CID 147928312
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325978
1-[5-[(5-chlorothiophen-2-yl)methoxymethyl]-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 157207857
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95762758

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
The IUPAC name of 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one (CID 157225884) is 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one is CCc1c(C(=O)CCC2CCOC2)noc1COCc1ccc2ccccc2c1.
What is the InChIKey of 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
The InChIKey is ATNLYMRWUZWYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-2-21-23(29-25-24(21)22(26)10-8-17-11-12-27-14-17)16-28-15-18-7-9-19-5-3-4-6-20(19)13-18/h3-7,9,13,17H,2,8,10-12,14-16H2,1H3.
What are the key properties of 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one?
1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one has a molecular weight of 393.48 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-(naphthalen-2-ylmethoxymethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 157225884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).