4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole

C14H17NO3 — CID 71103207

IUPAC4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(C)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H17NO3/c1-9-5-6-13(14(7-9)16-4)17-8-12-10(2)15-18-11(12)3/h5-7H,8H2,1-4H3
InChIKeyNHGASGBAGQWACT-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.19
Rot. Bonds4

About 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole

4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 71103207) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID71103207
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(C)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H17NO3/c1-9-5-6-13(14(7-9)16-4)17-8-12-10(2)15-18-11(12)3/h5-7H,8H2,1-4H3
InChIKeyNHGASGBAGQWACT-UHFFFAOYSA-N
XLogP3.19
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 43505265
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N,3-dimethoxy-N-methylbenzamide
CID 17465264
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
CID 117052461
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 110878814
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
CID 32980348
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide
CID 55799586
N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939
2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole (CID 71103207) is 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole is COc1cc(C)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NHGASGBAGQWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-5-6-13(14(7-9)16-4)17-8-12-10(2)15-18-11(12)3/h5-7H,8H2,1-4H3.
What are the key properties of 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 247.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 71103207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).