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

C8H12N2O3 — CID 62189875

IUPACethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
SMILESCCOC(=O)NCc1cc(C)no1
InChIInChI=1S/C8H12N2O3/c1-3-12-8(11)9-5-7-4-6(2)10-13-7/h4H,3,5H2,1-2H3,(H,9,11)
InChIKeyBDFWXJWLXQZOSY-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.23
Rot. Bonds3

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

ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate (PubChem CID 62189875) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
PubChem CID62189875
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
SMILESCCOC(=O)NCc1cc(C)no1
InChIInChI=1S/C8H12N2O3/c1-3-12-8(11)9-5-7-4-6(2)10-13-7/h4H,3,5H2,1-2H3,(H,9,11)
InChIKeyBDFWXJWLXQZOSY-UHFFFAOYSA-N
XLogP1.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
2-hydroxyethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 79348723
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 82237400
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
3-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-ynamide
CID 130901679
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114089461
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
2-amino-5-methoxy-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentanamide
CID 81088105
2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 113379883

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate (CID 62189875) is ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate is CCOC(=O)NCc1cc(C)no1.
What is the InChIKey of ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
The InChIKey is BDFWXJWLXQZOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-12-8(11)9-5-7-4-6(2)10-13-7/h4H,3,5H2,1-2H3,(H,9,11).
What are the key properties of ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate has a molecular weight of 184.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate is sourced from PubChem (CID 62189875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).