(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate

C11H18N2O3 — CID 91305946

IUPAC(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
SMILESCCc1cc(COC(=O)NCC(C)C)on1
InChIInChI=1S/C11H18N2O3/c1-4-9-5-10(16-13-9)7-15-11(14)12-6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyHGYSBTSOGIDPBB-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.12
Rot. Bonds5

About (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate

(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate (PubChem CID 91305946) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
PubChem CID91305946
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
SMILESCCc1cc(COC(=O)NCC(C)C)on1
InChIInChI=1S/C11H18N2O3/c1-4-9-5-10(16-13-9)7-15-11(14)12-6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyHGYSBTSOGIDPBB-UHFFFAOYSA-N
XLogP2.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate (CID 91305946) is (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate is CCc1cc(COC(=O)NCC(C)C)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate?
The InChIKey is HGYSBTSOGIDPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-9-5-10(16-13-9)7-15-11(14)12-6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,12,14).
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate?
(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate has a molecular weight of 226.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 91305946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).