(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide

C22H28ClN3O4 — CID 95327518

IUPAC(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
SMILESCOCCN(C)C(=O)[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C22H28ClN3O4/c1-25(12-13-29-2)22(28)17-4-3-11-26(15-17)21(27)10-9-20-24-14-19(30-20)16-5-7-18(23)8-6-16/h5-8,14,17H,3-4,9-13,15H2,1-2H3/t17-/m1/s1
InChIKeyVLRAAJRQOVPEHD-QGZVFWFLSA-N
MW433.94 g/mol
LogP3.27
Rot. Bonds8

About (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide

(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide (PubChem CID 95327518) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
PubChem CID95327518
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
SMILESCOCCN(C)C(=O)[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C22H28ClN3O4/c1-25(12-13-29-2)22(28)17-4-3-11-26(15-17)21(27)10-9-20-24-14-19(30-20)16-5-7-18(23)8-6-16/h5-8,14,17H,3-4,9-13,15H2,1-2H3/t17-/m1/s1
InChIKeyVLRAAJRQOVPEHD-QGZVFWFLSA-N
XLogP3.27
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415
methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
CID 108809123
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539972
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119484802
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[(2R)-2-methylmorpholin-4-yl]propan-1-one
CID 30176196
N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 55950149
N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
CID 119480187
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119632342
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113304

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide (CID 95327518) is (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide is COCCN(C)C(=O)[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1.
What is the InChIKey of (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is VLRAAJRQOVPEHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28ClN3O4/c1-25(12-13-29-2)22(28)17-4-3-11-26(15-17)21(27)10-9-20-24-14-19(30-20)16-5-7-18(23)8-6-16/h5-8,14,17H,3-4,9-13,15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95327518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).