methyl N-(1,2-oxazol-5-ylmethyl)carbamate

C6H8N2O3 — CID 106415587

IUPACmethyl N-(1,2-oxazol-5-ylmethyl)carbamate
SMILESCOC(=O)NCc1ccno1
InChIInChI=1S/C6H8N2O3/c1-10-6(9)7-4-5-2-3-8-11-5/h2-3H,4H2,1H3,(H,7,9)
InChIKeyMRYMDHKJAFBJIV-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.53
Rot. Bonds2

About methyl N-(1,2-oxazol-5-ylmethyl)carbamate

methyl N-(1,2-oxazol-5-ylmethyl)carbamate (PubChem CID 106415587) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is methyl N-(1,2-oxazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2-oxazol-5-ylmethyl)carbamate
PubChem CID106415587
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Namemethyl N-(1,2-oxazol-5-ylmethyl)carbamate
SMILESCOC(=O)NCc1ccno1
InChIInChI=1S/C6H8N2O3/c1-10-6(9)7-4-5-2-3-8-11-5/h2-3H,4H2,1H3,(H,7,9)
InChIKeyMRYMDHKJAFBJIV-UHFFFAOYSA-N
XLogP0.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106416942
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106417404
2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 106417424
3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417442
4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine
CID 106417588
3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417784
2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106417894

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2-oxazol-5-ylmethyl)carbamate?
The IUPAC name of methyl N-(1,2-oxazol-5-ylmethyl)carbamate (CID 106415587) is methyl N-(1,2-oxazol-5-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(1,2-oxazol-5-ylmethyl)carbamate?
The canonical SMILES for methyl N-(1,2-oxazol-5-ylmethyl)carbamate is COC(=O)NCc1ccno1.
What is the InChIKey of methyl N-(1,2-oxazol-5-ylmethyl)carbamate?
The InChIKey is MRYMDHKJAFBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-10-6(9)7-4-5-2-3-8-11-5/h2-3H,4H2,1H3,(H,7,9).
What are the key properties of methyl N-(1,2-oxazol-5-ylmethyl)carbamate?
methyl N-(1,2-oxazol-5-ylmethyl)carbamate has a molecular weight of 156.14 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2-oxazol-5-ylmethyl)carbamate is sourced from PubChem (CID 106415587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).