methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate

C14H17NO4 — CID 131843851

IUPACmethyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate
SMILESCOC(=O)c1c(OC)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO4/c1-14(2)8-19-12(15-14)9-6-5-7-10(17-3)11(9)13(16)18-4/h5-7H,8H2,1-4H3
InChIKeyYMUURBITTCPYHT-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate

methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate (PubChem CID 131843851) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate
PubChem CID131843851
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate
SMILESCOC(=O)c1c(OC)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO4/c1-14(2)8-19-12(15-14)9-6-5-7-10(17-3)11(9)13(16)18-4/h5-7H,8H2,1-4H3
InChIKeyYMUURBITTCPYHT-UHFFFAOYSA-N
XLogP2.04
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]acetaldehyde
CID 12701133
2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
CID 21275658
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
tert-butyl N-[(E)-2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,5-dimethoxyphenyl]phenyl]ethenyl]-N-methylcarbamate
CID 10950722
methyl 2-formyl-6-methoxybenzoate
CID 12730360
2-[2-(bromomethyl)-3,4-dimethoxyphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 23043950
methyl 2-iodo-6-methoxybenzoate
CID 91882308
2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14665480
2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 10890971
2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 20853095
tert-butyl N-[2-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,3-dimethoxyphenyl]phenyl]ethyl]-N-methylcarbamate
CID 10950758

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate?
The IUPAC name of methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate (CID 131843851) is methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate.
What is the SMILES notation for methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate?
The canonical SMILES for methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate is COC(=O)c1c(OC)cccc1C1=NC(C)(C)CO1.
What is the InChIKey of methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate?
The InChIKey is YMUURBITTCPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2)8-19-12(15-14)9-6-5-7-10(17-3)11(9)13(16)18-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate?
methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate has a molecular weight of 263.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate is sourced from PubChem (CID 131843851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).