N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide

C14H18N4O4S2 — CID 3147268

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide
SMILESCc1cc(NC(=O)CSCCSCC(=O)Nc2cc(C)on2)no1
InChIInChI=1S/C14H18N4O4S2/c1-9-5-11(17-21-9)15-13(19)7-23-3-4-24-8-14(20)16-12-6-10(2)22-18-12/h5-6H,3-4,7-8H2,1-2H3,(H,15,17,19)(H,16,18,20)
InChIKeyYWDXDNJQDPRIPZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.32
Rot. Bonds9

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide (PubChem CID 3147268) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide
PubChem CID3147268
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide
SMILESCc1cc(NC(=O)CSCCSCC(=O)Nc2cc(C)on2)no1
InChIInChI=1S/C14H18N4O4S2/c1-9-5-11(17-21-9)15-13(19)7-23-3-4-24-8-14(20)16-12-6-10(2)22-18-12/h5-6H,3-4,7-8H2,1-2H3,(H,15,17,19)(H,16,18,20)
InChIKeyYWDXDNJQDPRIPZ-UHFFFAOYSA-N
XLogP2.32
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide (CID 3147268) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide is Cc1cc(NC(=O)CSCCSCC(=O)Nc2cc(C)on2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
The InChIKey is YWDXDNJQDPRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-9-5-11(17-21-9)15-13(19)7-23-3-4-24-8-14(20)16-12-6-10(2)22-18-12/h5-6H,3-4,7-8H2,1-2H3,(H,15,17,19)(H,16,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylethylsulfanyl]acetamide is sourced from PubChem (CID 3147268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).