2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C15H24N4O3S — CID 119478913

IUPAC2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NC2CCC(N)CC2)no1
InChIInChI=1S/C15H24N4O3S/c1-9-7-13(19-22-9)18-15(21)10(2)23-8-14(20)17-12-5-3-11(16)4-6-12/h7,10-12H,3-6,8,16H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyBYCIWHMULFUXEA-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 119478913) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID119478913
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NC2CCC(N)CC2)no1
InChIInChI=1S/C15H24N4O3S/c1-9-7-13(19-22-9)18-15(21)10(2)23-8-14(20)17-12-5-3-11(16)4-6-12/h7,10-12H,3-6,8,16H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyBYCIWHMULFUXEA-UHFFFAOYSA-N
XLogP1.43
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

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Related Compounds

2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17408045
(2R)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40714205
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119592007
2-[2-(ethoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47129265
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]sulfanylpropanamide
CID 46465761
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 8636637
N-cyclohexyl-3-methyl-4-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide
CID 55879039
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
2-[2-[3-(methylamino)propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119434077
tert-butyl 3-[[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]methyl]azetidine-1-carboxylate
CID 97248950
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 119478913) is 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)SCC(=O)NC2CCC(N)CC2)no1.
What is the InChIKey of 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is BYCIWHMULFUXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-9-7-13(19-22-9)18-15(21)10(2)23-8-14(20)17-12-5-3-11(16)4-6-12/h7,10-12H,3-6,8,16H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 119478913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).