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

C7H10N2O3 — CID 130987233

IUPACmethyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCc1cnc(C)o1
InChIInChI=1S/C7H10N2O3/c1-5-8-3-6(12-5)4-9-7(10)11-2/h3H,4H2,1-2H3,(H,9,10)
InChIKeyHDFOWNNPHMWBNZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.84
Rot. Bonds2

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

methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate (PubChem CID 130987233) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate
PubChem CID130987233
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCc1cnc(C)o1
InChIInChI=1S/C7H10N2O3/c1-5-8-3-6(12-5)4-9-7(10)11-2/h3H,4H2,1-2H3,(H,9,10)
InChIKeyHDFOWNNPHMWBNZ-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

2,5-Dimethyloxazole
CID 89961
2-Ethyl-5-methyloxazole
CID 528403
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(2-Methyl-1,3-oxazol-5-yl)methanamine
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(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
(2-Ethyl-1,3-oxazol-5-yl)methanamine
CID 82074647
1-(2-Tert-butyl-1,3-oxazol-5-yl)methanamine
CID 82074678
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
(2-Cyclopropyl-1,3-oxazol-5-yl)methanamine
CID 82074651
1-[2-(Propan-2-yl)-1,3-oxazol-5-yl]methanamine
CID 82074655
2-(5-Methyloxazol-2-YL)ethan-1-amine dihydrochloride
CID 165691394
N'-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458100

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate (CID 130987233) is methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate is COC(=O)NCc1cnc(C)o1.
What is the InChIKey of methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate?
The InChIKey is HDFOWNNPHMWBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-8-3-6(12-5)4-9-7(10)11-2/h3H,4H2,1-2H3,(H,9,10).
What are the key properties of methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate?
methyl N-[(2-methyl-1,3-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-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate is sourced from PubChem (CID 130987233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).