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

C21H29N3O3 — CID 46957473

IUPAC3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1noc(C)c1C(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C21H29N3O3/c1-14-9-11-24(12-10-14)15(2)13-22-21(25)19-16(3)27-23-20(19)17-7-5-6-8-18(17)26-4/h5-8,14-15H,9-13H2,1-4H3,(H,22,25)
InChIKeyRKFFDNADZYYNKM-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.51
Rot. Bonds6

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

3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 46957473) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
PubChem CID46957473
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1noc(C)c1C(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C21H29N3O3/c1-14-9-11-24(12-10-14)15(2)13-22-21(25)19-16(3)27-23-20(19)17-7-5-6-8-18(17)26-4/h5-8,14-15H,9-13H2,1-4H3,(H,22,25)
InChIKeyRKFFDNADZYYNKM-UHFFFAOYSA-N
XLogP3.51
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110622415
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60533854
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7446909
3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 46969650
2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94819513
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 90613410
3-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24818298
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 97240369
3-(2-chlorophenyl)-5-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 78858830

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide (CID 46957473) is 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide is COc1ccccc1-c1noc(C)c1C(=O)NCC(C)N1CCC(C)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RKFFDNADZYYNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14-9-11-24(12-10-14)15(2)13-22-21(25)19-16(3)27-23-20(19)17-7-5-6-8-18(17)26-4/h5-8,14-15H,9-13H2,1-4H3,(H,22,25).
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46957473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).