2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C18H22N4O4S — CID 55343273

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2ccccc2N2CCOCC2)no1
InChIInChI=1S/C18H22N4O4S/c1-13-10-16(21-26-13)20-18(24)12-27-11-17(23)19-14-4-2-3-5-15(14)22-6-8-25-9-7-22/h2-5,10H,6-9,11-12H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyPGRKVKFSYLHPPO-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.13
Rot. Bonds7

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 55343273) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID55343273
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2ccccc2N2CCOCC2)no1
InChIInChI=1S/C18H22N4O4S/c1-13-10-16(21-26-13)20-18(24)12-27-11-17(23)19-14-4-2-3-5-15(14)22-6-8-25-9-7-22/h2-5,10H,6-9,11-12H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyPGRKVKFSYLHPPO-UHFFFAOYSA-N
XLogP2.13
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
2-[2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]phenyl]acetic acid
CID 119218457
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
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N-(5-methyl-1,2-oxazol-3-yl)-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109200634
N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34753814
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109222411
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51147442
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108792078
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 55343273) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Cc1cc(NC(=O)CSCC(=O)Nc2ccccc2N2CCOCC2)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is PGRKVKFSYLHPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-13-10-16(21-26-13)20-18(24)12-27-11-17(23)19-14-4-2-3-5-15(14)22-6-8-25-9-7-22/h2-5,10H,6-9,11-12H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55343273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).