methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate

C16H19NO3 — CID 22507119

IUPACmethyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C
InChIInChI=1S/C16H19NO3/c1-10(2)12-5-7-13(8-6-12)16-17-14(11(3)20-16)9-15(18)19-4/h5-8,10H,9H2,1-4H3
InChIKeyLHPKCPJBQHPGAV-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.49
Rot. Bonds4

About methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate

methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate (PubChem CID 22507119) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
PubChem CID22507119
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C
InChIInChI=1S/C16H19NO3/c1-10(2)12-5-7-13(8-6-12)16-17-14(11(3)20-16)9-15(18)19-4/h5-8,10H,9H2,1-4H3
InChIKeyLHPKCPJBQHPGAV-UHFFFAOYSA-N
XLogP3.49
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110610248
4-ethyl-5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazole
CID 142936111
1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone
CID 110408743
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110605980
methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate
CID 58951478
methyl 2-[[3-[2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetate
CID 18677339
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625253
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51336962
methyl 2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate;2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 158705132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate (CID 22507119) is methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate is COC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C.
What is the InChIKey of methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate?
The InChIKey is LHPKCPJBQHPGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)12-5-7-13(8-6-12)16-17-14(11(3)20-16)9-15(18)19-4/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate?
methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate has a molecular weight of 273.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 22507119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).