(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate

C14H24N2O3S2 — CID 88773739

IUPAC(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
SMILESCC(C)c1cc(COC(=O)N(C(C)CS)C(C)CS)on1
InChIInChI=1S/C14H24N2O3S2/c1-9(2)13-5-12(19-15-13)6-18-14(17)16(10(3)7-20)11(4)8-21/h5,9-11,20-21H,6-8H2,1-4H3
InChIKeyVMDJQTCZBPUFGP-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.37
Rot. Bonds7

About (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate

(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate (PubChem CID 88773739) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
PubChem CID88773739
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
SMILESCC(C)c1cc(COC(=O)N(C(C)CS)C(C)CS)on1
InChIInChI=1S/C14H24N2O3S2/c1-9(2)13-5-12(19-15-13)6-18-14(17)16(10(3)7-20)11(4)8-21/h5,9-11,20-21H,6-8H2,1-4H3
InChIKeyVMDJQTCZBPUFGP-UHFFFAOYSA-N
XLogP3.37
TPSA55.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate (CID 88773739) is (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate.
What is the SMILES notation for (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate is CC(C)c1cc(COC(=O)N(C(C)CS)C(C)CS)on1.
What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The InChIKey is VMDJQTCZBPUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-9(2)13-5-12(19-15-13)6-18-14(17)16(10(3)7-20)11(4)8-21/h5,9-11,20-21H,6-8H2,1-4H3.
What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate has a molecular weight of 332.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate is sourced from PubChem (CID 88773739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).