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

C5H6N2O3S — CID 88739789

IUPAC[1,2-oxazol-3-yl(sulfanyl)methyl] carbamate
SMILESNC(=O)OC(S)c1ccon1
InChIInChI=1S/C5H6N2O3S/c6-5(8)10-4(11)3-1-2-9-7-3/h1-2,4,11H,(H2,6,8)
InChIKeyMEDWLNVRCJQXTR-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.70
Rot. Bonds2

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

[1,2-oxazol-3-yl(sulfanyl)methyl] carbamate (PubChem CID 88739789) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate.

Molecular Properties

Compound Name[1,2-oxazol-3-yl(sulfanyl)methyl] carbamate
PubChem CID88739789
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name[1,2-oxazol-3-yl(sulfanyl)methyl] carbamate
SMILESNC(=O)OC(S)c1ccon1
InChIInChI=1S/C5H6N2O3S/c6-5(8)10-4(11)3-1-2-9-7-3/h1-2,4,11H,(H2,6,8)
InChIKeyMEDWLNVRCJQXTR-UHFFFAOYSA-N
XLogP0.70
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Methoxymethyl)-1,2-oxazole
CID 23080901
1,2-Oxazol-3-ylmethyl formate
CID 54275024
1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylbutyl)carbamate
CID 57189548
1,2-oxazol-3-ylmethyl N-(2-methyl-1-sulfanylpropyl)-N-propan-2-ylcarbamate
CID 57283330
1,2-Oxazol-3-ylmethyl acetate
CID 59090917
3-(Ethoxymethyl)-1,2-oxazole
CID 59155008
Carbamic acid;1,2-oxazol-3-ylmethanethiol
CID 88739787
1-Methyl-3-[2-(1,2-oxazol-3-ylmethoxy)ethylsulfanyl]urea
CID 88762778
1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate
CID 88772634
1,2-oxazol-3-ylmethyl N-methyl-N-(1-sulfanylpropan-2-yl)carbamate
CID 88774680
3-(1,2-Oxazol-3-ylmethoxy)propan-1-amine
CID 142630686
2-(1,2-Oxazol-3-ylmethoxy)ethanamine
CID 142630691

Frequently Asked Questions

What is the IUPAC name of [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate?
The IUPAC name of [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate (CID 88739789) is [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate.
What is the SMILES notation for [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate?
The canonical SMILES for [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate is NC(=O)OC(S)c1ccon1.
What is the InChIKey of [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate?
The InChIKey is MEDWLNVRCJQXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-5(8)10-4(11)3-1-2-9-7-3/h1-2,4,11H,(H2,6,8).
What are the key properties of [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate?
[1,2-oxazol-3-yl(sulfanyl)methyl] carbamate has a molecular weight of 174.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-oxazol-3-yl(sulfanyl)methyl] carbamate is sourced from PubChem (CID 88739789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).