N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide

C19H20N4O4S — CID 56544891

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCCc1ccc(-c2cc(NC(=O)CSCC(=O)Nc3cc(C)on3)on2)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-13-4-6-14(7-5-13)15-9-19(27-22-15)21-18(25)11-28-10-17(24)20-16-8-12(2)26-23-16/h4-9H,3,10-11H2,1-2H3,(H,21,25)(H,20,23,24)
InChIKeyMDOULBVKFOSFND-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.51
Rot. Bonds8

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 56544891) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID56544891
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCCc1ccc(-c2cc(NC(=O)CSCC(=O)Nc3cc(C)on3)on2)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-13-4-6-14(7-5-13)15-9-19(27-22-15)21-18(25)11-28-10-17(24)20-16-8-12(2)26-23-16/h4-9H,3,10-11H2,1-2H3,(H,21,25)(H,20,23,24)
InChIKeyMDOULBVKFOSFND-UHFFFAOYSA-N
XLogP3.51
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56529980
2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7594665
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
(4-methylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466617
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56544732
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 56530016
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]sulfanylacetamide
CID 49416422
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]ethyl]sulfanylacetamide
CID 36612644
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-pyridin-4-ylacetamide
CID 32921547
2-[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55390769

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide (CID 56544891) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide is CCc1ccc(-c2cc(NC(=O)CSCC(=O)Nc3cc(C)on3)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is MDOULBVKFOSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-13-4-6-14(7-5-13)15-9-19(27-22-15)21-18(25)11-28-10-17(24)20-16-8-12(2)26-23-16/h4-9H,3,10-11H2,1-2H3,(H,21,25)(H,20,23,24).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 400.46 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 56544891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).