tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide

About tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide

tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide (PubChem CID 163331626) has the molecular formula C18H33N5O5S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide.

Molecular Properties

Compound Name	tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide
PubChem CID	163331626
Molecular Formula	C18H33N5O5S2
Molecular Weight	463.63 g/mol
Exact Mass	463.19
IUPAC Name	tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide
SMILES	CN(C)C=O.CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1
InChI	InChI=1S/C15H26N4O4S2.C3H7NO/c1-15(2,3)23-13(21)16-10(7-8-24-6)12-17-18-14(22-12)25-9-11(20)19(4)5;1-4(2)3-5/h10H,7-9H2,1-6H3,(H,16,21);3H,1-2H3
InChIKey	SRJYBAPQBSIZHY-UHFFFAOYSA-N
XLogP	2.27
TPSA	117.87 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	9
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide?

The IUPAC name of tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide (CID 163331626) is tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide.

What is the SMILES notation for tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide?

The canonical SMILES for tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide is CN(C)C=O.CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1.

What is the InChIKey of tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide?

The InChIKey is SRJYBAPQBSIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S2.C3H7NO/c1-15(2,3)23-13(21)16-10(7-8-24-6)12-17-18-14(22-12)25-9-11(20)19(4)5;1-4(2)3-5/h10H,7-9H2,1-6H3,(H,16,21);3H,1-2H3.

What are the key properties of tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide?

tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide has a molecular weight of 463.63 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate;N,N-dimethylformamide is sourced from PubChem (CID 163331626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).