(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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Related Compounds

(3-ethyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
CID 88648893
N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide
CID 146095200
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
propyl N-(2-methylpropyl)carbamate
CID 91192078
2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 90864078
2-amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid
CID 71094579
3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid
CID 83828594
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444006
1-ethyl-2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylguanidine
CID 111780425
(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide
CID 95144078

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).