5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide

C23H23N3O5 — CID 93140823

IUPAC5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C(=O)N3CCOCC3)c3ccccc3)no2)c1
InChIInChI=1S/C23H23N3O5/c1-29-18-9-5-8-17(14-18)20-15-19(25-31-20)22(27)24-21(16-6-3-2-4-7-16)23(28)26-10-12-30-13-11-26/h2-9,14-15,21H,10-13H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyDKRPIPGNMJUUDL-OAQYLSRUSA-N
MW421.45 g/mol
LogP2.68
Rot. Bonds6

About 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 93140823) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
PubChem CID93140823
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C(=O)N3CCOCC3)c3ccccc3)no2)c1
InChIInChI=1S/C23H23N3O5/c1-29-18-9-5-8-17(14-18)20-15-19(25-31-20)22(27)24-21(16-6-3-2-4-7-16)23(28)26-10-12-30-13-11-26/h2-9,14-15,21H,10-13H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyDKRPIPGNMJUUDL-OAQYLSRUSA-N
XLogP2.68
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070161
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140685
5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42822390
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313232
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42822366
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
CID 110314831
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 73168515

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide (CID 93140823) is 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)N[C@@H](C(=O)N3CCOCC3)c3ccccc3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DKRPIPGNMJUUDL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-18-9-5-8-17(14-18)20-15-19(25-31-20)22(27)24-21(16-6-3-2-4-7-16)23(28)26-10-12-30-13-11-26/h2-9,14-15,21H,10-13H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).