N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C23H33N3O3 — CID 110622415

IUPACN-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1c(C)noc1C(C)C)N1CCC(C)CC1
InChIInChI=1S/C23H33N3O3/c1-15(2)22-21(17(4)25-29-22)23(27)24-14-19(26-12-10-16(3)11-13-26)18-8-6-7-9-20(18)28-5/h6-9,15-16,19H,10-14H2,1-5H3,(H,24,27)
InChIKeyVDGNLVJFKGRFDU-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110622415) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110622415
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1c(C)noc1C(C)C)N1CCC(C)CC1
InChIInChI=1S/C23H33N3O3/c1-15(2)22-21(17(4)25-29-22)23(27)24-14-19(26-12-10-16(3)11-13-26)18-8-6-7-9-20(18)28-5/h6-9,15-16,19H,10-14H2,1-5H3,(H,24,27)
InChIKeyVDGNLVJFKGRFDU-UHFFFAOYSA-N
XLogP4.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30478046
2-fluoro-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 112504610
N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110622426
3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 46957473
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623869
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60533854
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110622101
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622104
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 78791262
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110622415) is N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is COc1ccccc1C(CNC(=O)c1c(C)noc1C(C)C)N1CCC(C)CC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is VDGNLVJFKGRFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-15(2)22-21(17(4)25-29-22)23(27)24-14-19(26-12-10-16(3)11-13-26)18-8-6-7-9-20(18)28-5/h6-9,15-16,19H,10-14H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110622415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).