N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C19H24N4O5 — CID 30835539

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCOc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)on2)N2CCOCC2)cc1
InChIInChI=1S/C19H24N4O5/c1-13-11-17(22-28-13)21-19(25)18(24)20-12-16(23-7-9-27-10-8-23)14-3-5-15(26-2)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,20,24)(H,21,22,25)/t16-/m1/s1
InChIKeyORWUMUOTPARIJL-MRXNPFEDSA-N
MW388.42 g/mol
LogP1.12
Rot. Bonds6

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 30835539) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID30835539
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCOc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)on2)N2CCOCC2)cc1
InChIInChI=1S/C19H24N4O5/c1-13-11-17(22-28-13)21-19(25)18(24)20-12-16(23-7-9-27-10-8-23)14-3-5-15(26-2)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,20,24)(H,21,22,25)/t16-/m1/s1
InChIKeyORWUMUOTPARIJL-MRXNPFEDSA-N
XLogP1.12
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589313
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343723
N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835584
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835618
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 30835557
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31325172
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 30605445
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 30835539) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)on2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is ORWUMUOTPARIJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-13-11-17(22-28-13)21-19(25)18(24)20-12-16(23-7-9-27-10-8-23)14-3-5-15(26-2)6-4-14/h3-6,11,16H,7-10,12H2,1-2H3,(H,20,24)(H,21,22,25)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 388.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 30835539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).