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

C7H10N2O3 — CID 115598489

IUPACmethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc(C)no1
InChIInChI=1S/C7H10N2O3/c1-5-3-6(12-9-5)4-8-7(10)11-2/h3H,4H2,1-2H3,(H,8,10)
InChIKeyHRFQWMBHSBYHGZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.84
Rot. Bonds2

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

methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate (PubChem CID 115598489) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
PubChem CID115598489
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc(C)no1
InChIInChI=1S/C7H10N2O3/c1-5-3-6(12-9-5)4-8-7(10)11-2/h3H,4H2,1-2H3,(H,8,10)
InChIKeyHRFQWMBHSBYHGZ-UHFFFAOYSA-N
XLogP0.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
2-hydroxyethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 79348723
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
3-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-ynamide
CID 130901679
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
CID 103389676
2-amino-5-methoxy-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentanamide
CID 81088105
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 71881577
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 82237400

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
The IUPAC name of methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate (CID 115598489) is methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate is COC(=O)NCc1cc(C)no1.
What is the InChIKey of methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
The InChIKey is HRFQWMBHSBYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-3-6(12-9-5)4-8-7(10)11-2/h3H,4H2,1-2H3,(H,8,10).
What are the key properties of methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate?
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate has a molecular weight of 170.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate is sourced from PubChem (CID 115598489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).