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

C14H24N2O3S2 — CID 88772882

IUPAC(3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
SMILESCCCc1cc(COC(=O)N(C(C)CS)C(C)CS)on1
InChIInChI=1S/C14H24N2O3S2/c1-4-5-12-6-13(19-15-12)7-18-14(17)16(10(2)8-20)11(3)9-21/h6,10-11,20-21H,4-5,7-9H2,1-3H3
InChIKeyDFGVDFWNESZTOE-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.20
Rot. Bonds8

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

(3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate (PubChem CID 88772882) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
PubChem CID88772882
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name(3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
SMILESCCCc1cc(COC(=O)N(C(C)CS)C(C)CS)on1
InChIInChI=1S/C14H24N2O3S2/c1-4-5-12-6-13(19-15-12)7-18-14(17)16(10(2)8-20)11(3)9-21/h6,10-11,20-21H,4-5,7-9H2,1-3H3
InChIKeyDFGVDFWNESZTOE-UHFFFAOYSA-N
XLogP3.20
TPSA55.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The IUPAC name of (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate (CID 88772882) is (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate.
What is the SMILES notation for (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The canonical SMILES for (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate is CCCc1cc(COC(=O)N(C(C)CS)C(C)CS)on1.
What is the InChIKey of (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The InChIKey is DFGVDFWNESZTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-4-5-12-6-13(19-15-12)7-18-14(17)16(10(2)8-20)11(3)9-21/h6,10-11,20-21H,4-5,7-9H2,1-3H3.
What are the key properties of (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
(3-propyl-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 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate is sourced from PubChem (CID 88772882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).