2-methyl-4-phenyl-5-propoxy-1,3-oxazole

C13H15NO2 — CID 71505946

IUPAC2-methyl-4-phenyl-5-propoxy-1,3-oxazole
SMILESCCCOc1oc(C)nc1-c1ccccc1
InChIInChI=1S/C13H15NO2/c1-3-9-15-13-12(14-10(2)16-13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyWQOXHJCRTZLKDC-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.44
Rot. Bonds4

About 2-methyl-4-phenyl-5-propoxy-1,3-oxazole

2-methyl-4-phenyl-5-propoxy-1,3-oxazole (PubChem CID 71505946) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-4-phenyl-5-propoxy-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-phenyl-5-propoxy-1,3-oxazole
PubChem CID71505946
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methyl-4-phenyl-5-propoxy-1,3-oxazole
SMILESCCCOc1oc(C)nc1-c1ccccc1
InChIInChI=1S/C13H15NO2/c1-3-9-15-13-12(14-10(2)16-13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyWQOXHJCRTZLKDC-UHFFFAOYSA-N
XLogP3.44
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole
CID 45098002
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
CID 10041271
5-phenyl-4-propoxy-1,2-oxazole
CID 173144259
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine
CID 6409536
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
2-propoxy-1,3-benzoxazole
CID 23395170
4-phenyl-6-propoxypyrimidin-2-amine
CID 46173611
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
8-phenyl-9-propan-2-yl-6-propoxypurine
CID 154718255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-5-propoxy-1,3-oxazole?
The IUPAC name of 2-methyl-4-phenyl-5-propoxy-1,3-oxazole (CID 71505946) is 2-methyl-4-phenyl-5-propoxy-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-phenyl-5-propoxy-1,3-oxazole?
The canonical SMILES for 2-methyl-4-phenyl-5-propoxy-1,3-oxazole is CCCOc1oc(C)nc1-c1ccccc1.
What is the InChIKey of 2-methyl-4-phenyl-5-propoxy-1,3-oxazole?
The InChIKey is WQOXHJCRTZLKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-9-15-13-12(14-10(2)16-13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-methyl-4-phenyl-5-propoxy-1,3-oxazole?
2-methyl-4-phenyl-5-propoxy-1,3-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-5-propoxy-1,3-oxazole is sourced from PubChem (CID 71505946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).