2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide

C24H22N4O4S — CID 112830792

IUPAC2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
SMILESCc1ncc(-c2ccc(NC(=O)CSCC(=O)Nc3ccc(-c4cnc(C)o4)cc3)cc2)o1
InChIInChI=1S/C24H22N4O4S/c1-15-25-11-21(31-15)17-3-7-19(8-4-17)27-23(29)13-33-14-24(30)28-20-9-5-18(6-10-20)22-12-26-16(2)32-22/h3-12H,13-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAIJXETIHNPPHCH-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.92
Rot. Bonds8

About 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide

2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 112830792) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID112830792
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
SMILESCc1ncc(-c2ccc(NC(=O)CSCC(=O)Nc3ccc(-c4cnc(C)o4)cc3)cc2)o1
InChIInChI=1S/C24H22N4O4S/c1-15-25-11-21(31-15)17-3-7-19(8-4-17)27-23(29)13-33-14-24(30)28-20-9-5-18(6-10-20)22-12-26-16(2)32-22/h3-12H,13-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAIJXETIHNPPHCH-UHFFFAOYSA-N
XLogP4.92
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704493
4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704467
3-methyl-N,N'-bis[4-(2-methyl-1,3-oxazol-5-yl)phenyl]hexanediamide
CID 112830791
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86980331
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 71898656
[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
CID 86632608
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide
CID 119704480
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 71898657
2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974723
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide (CID 112830792) is 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide is Cc1ncc(-c2ccc(NC(=O)CSCC(=O)Nc3ccc(-c4cnc(C)o4)cc3)cc2)o1.
What is the InChIKey of 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is AIJXETIHNPPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-15-25-11-21(31-15)17-3-7-19(8-4-17)27-23(29)13-33-14-24(30)28-20-9-5-18(6-10-20)22-12-26-16(2)32-22/h3-12H,13-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide?
2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 112830792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).