1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate

C10H16N2O3S — CID 88772634

IUPAC1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate
SMILESCCN(C(=O)OCc1ccon1)C(C)CS
InChIInChI=1S/C10H16N2O3S/c1-3-12(8(2)7-16)10(13)14-6-9-4-5-15-11-9/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyYULJXYGIEVKESW-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.95
Rot. Bonds5

About 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate

1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate (PubChem CID 88772634) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate.

Molecular Properties

Compound Name1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate
PubChem CID88772634
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate
SMILESCCN(C(=O)OCc1ccon1)C(C)CS
InChIInChI=1S/C10H16N2O3S/c1-3-12(8(2)7-16)10(13)14-6-9-4-5-15-11-9/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyYULJXYGIEVKESW-UHFFFAOYSA-N
XLogP1.95
TPSA55.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate?
The IUPAC name of 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate (CID 88772634) is 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate.
What is the SMILES notation for 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate?
The canonical SMILES for 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate is CCN(C(=O)OCc1ccon1)C(C)CS.
What is the InChIKey of 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate?
The InChIKey is YULJXYGIEVKESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-12(8(2)7-16)10(13)14-6-9-4-5-15-11-9/h4-5,8,16H,3,6-7H2,1-2H3.
What are the key properties of 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate?
1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate has a molecular weight of 244.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-ylmethyl N-ethyl-N-(1-sulfanylpropan-2-yl)carbamate is sourced from PubChem (CID 88772634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).