5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide

C23H28ClN3O5 — CID 93140760

IUPAC5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccc(Cl)c2)on1)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28ClN3O5/c24-17-5-1-4-16(12-17)21-13-20(26-32-21)23(29)27(15-19-7-3-11-31-19)9-8-22(28)25-14-18-6-2-10-30-18/h1,4-5,12-13,18-19H,2-3,6-11,14-15H2,(H,25,28)/t18-,19-/m0/s1
InChIKeyQUYOFRRHUWOSDI-OALUTQOASA-N
MW461.95 g/mol
LogP3.30
Rot. Bonds9

About 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 93140760) has the molecular formula C23H28ClN3O5 and a molecular weight of 461.95 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
PubChem CID93140760
Molecular FormulaC23H28ClN3O5
Molecular Weight461.95 g/mol
Exact Mass461.17
IUPAC Name5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccc(Cl)c2)on1)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28ClN3O5/c24-17-5-1-4-16(12-17)21-13-20(26-32-21)23(29)27(15-19-7-3-11-31-19)9-8-22(28)25-14-18-6-2-10-30-18/h1,4-5,12-13,18-19H,2-3,6-11,14-15H2,(H,25,28)/t18-,19-/m0/s1
InChIKeyQUYOFRRHUWOSDI-OALUTQOASA-N
XLogP3.30
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140770
N-(2-methoxyethyl)-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 46141205
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140721
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93143813
5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 93143416
5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 93143418
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140459
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
5-(2,4-dichlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93143428
N-(furan-2-ylmethyl)-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143894
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143908

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide (CID 93140760) is 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide is O=C(CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccc(Cl)c2)on1)NC[C@@H]1CCCO1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QUYOFRRHUWOSDI-OALUTQOASA-N. The full InChI is InChI=1S/C23H28ClN3O5/c24-17-5-1-4-16(12-17)21-13-20(26-32-21)23(29)27(15-19-7-3-11-31-19)9-8-22(28)25-14-18-6-2-10-30-18/h1,4-5,12-13,18-19H,2-3,6-11,14-15H2,(H,25,28)/t18-,19-/m0/s1.
What are the key properties of 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).