ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene

C35H50N6O7S — CID 144778034

About ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene

ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene (PubChem CID 144778034) has the molecular formula C35H50N6O7S and a molecular weight of 698.89 g/mol. Its IUPAC name is ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene.

Molecular Properties

• Compound Name: ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene
• PubChem CID: 144778034
• Molecular Formula: C35H50N6O7S
• Molecular Weight: 698.89 g/mol
• Exact Mass: 698.35
• IUPAC Name: ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene
• SMILES: CC.CC(C)CC(NC(=O)CNC(=O)C(Cc1cscn1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1.Cc1ccccc1
• InChI: InChI=1S/C26H36N6O7S.C7H8.C2H6/c1-16(2)8-19(23(34)26(3)14-38-26)29-22(33)11-27-24(35)20(9-17-13-40-15-28-17)30-25(36)21-10-18(39-31-21)12-32-4-6-37-7-5-32;1-7-5-3-2-4-6-7;1-2/h10,13,15-16,19-20H,4-9,11-12,14H2,1-3H3,(H,27,35)(H,29,33)(H,30,36);2-6H,1H3;1-2H3/t19?,20?,26-;;/m1../s1
• InChIKey: OOXFEUDZPULCET-XEBZPWHOSA-N
• XLogP: 3.33
• TPSA: 168.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.89
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

The IUPAC name of ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene (CID 144778034) is ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene.

What is the SMILES notation for ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

The canonical SMILES for ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene is CC.CC(C)CC(NC(=O)CNC(=O)C(Cc1cscn1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1.Cc1ccccc1.

What is the InChIKey of ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

The InChIKey is OOXFEUDZPULCET-XEBZPWHOSA-N. The full InChI is InChI=1S/C26H36N6O7S.C7H8.C2H6/c1-16(2)8-19(23(34)26(3)14-38-26)29-22(33)11-27-24(35)20(9-17-13-40-15-28-17)30-25(36)21-10-18(39-31-21)12-32-4-6-37-7-5-32;1-7-5-3-2-4-6-7;1-2/h10,13,15-16,19-20H,4-9,11-12,14H2,1-3H3,(H,27,35)(H,29,33)(H,30,36);2-6H,1H3;1-2H3/t19?,20?,26-;;/m1../s1.

What are the key properties of ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene has a molecular weight of 698.89 g/mol, XLogP of 3.33, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[1-[[2-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;toluene is sourced from PubChem (CID 144778034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).