2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate

C16H20N2O4 — CID 51050831

IUPAC2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
SMILESCOc1ccc(-c2cc(CNC(=O)OCC(C)C)on2)cc1
InChIInChI=1S/C16H20N2O4/c1-11(2)10-21-16(19)17-9-14-8-15(18-22-14)12-4-6-13(20-3)7-5-12/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyXDVWGALMCZFVBL-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.23
Rot. Bonds6

About 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate

2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate (PubChem CID 51050831) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
PubChem CID51050831
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
SMILESCOc1ccc(-c2cc(CNC(=O)OCC(C)C)on2)cc1
InChIInChI=1S/C16H20N2O4/c1-11(2)10-21-16(19)17-9-14-8-15(18-22-14)12-4-6-13(20-3)7-5-12/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyXDVWGALMCZFVBL-UHFFFAOYSA-N
XLogP3.23
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate (CID 51050831) is 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate is COc1ccc(-c2cc(CNC(=O)OCC(C)C)on2)cc1.
What is the InChIKey of 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
The InChIKey is XDVWGALMCZFVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(2)10-21-16(19)17-9-14-8-15(18-22-14)12-4-6-13(20-3)7-5-12/h4-8,11H,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate is sourced from PubChem (CID 51050831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).