3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole

C16H15NO2 — CID 141170983

IUPAC3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole
SMILESCc1ccc(Cc2ccc(Cc3ccon3)cc2)o1
InChIInChI=1S/C16H15NO2/c1-12-2-7-16(19-12)11-14-5-3-13(4-6-14)10-15-8-9-18-17-15/h2-9H,10-11H2,1H3
InChIKeyQZSUICILFRXPLA-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.76
Rot. Bonds4

About 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole

3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole (PubChem CID 141170983) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole
PubChem CID141170983
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole
SMILESCc1ccc(Cc2ccc(Cc3ccon3)cc2)o1
InChIInChI=1S/C16H15NO2/c1-12-2-7-16(19-12)11-14-5-3-13(4-6-14)10-15-8-9-18-17-15/h2-9H,10-11H2,1H3
InChIKeyQZSUICILFRXPLA-UHFFFAOYSA-N
XLogP3.76
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-oxazol-3-ylmethyl)phenol
CID 171846584
3-benzyl-1,2-oxazole;carbonyl dichloride
CID 21092925
3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,2-oxazole
CID 141170966
2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole
CID 130662821
N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 115876673
2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
2-methyl-3-(1,2-oxazol-3-yl)propanal
CID 126844127
2-fluoropropane;(5-methylfuran-2-yl)methanamine
CID 142882995
CID 59269538
CID 59269538
1,2-oxazol-3-ylmethanethiol
CID 15646083
1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 115726406
3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione
CID 68555967

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole (CID 141170983) is 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole is Cc1ccc(Cc2ccc(Cc3ccon3)cc2)o1.
What is the InChIKey of 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole?
The InChIKey is QZSUICILFRXPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-2-7-16(19-12)11-14-5-3-13(4-6-14)10-15-8-9-18-17-15/h2-9H,10-11H2,1H3.
What are the key properties of 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole?
3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole has a molecular weight of 253.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole is sourced from PubChem (CID 141170983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).