N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide

C24H35N3O3 — CID 46027892

IUPACN-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1C)C(=O)CC(C)C
InChIInChI=1S/C24H35N3O3/c1-18(2)16-22(28)26(14-15-29-4)17-21-23(20-11-6-5-7-12-20)25-30-24(21)27-13-9-8-10-19(27)3/h5-7,11-12,18-19H,8-10,13-17H2,1-4H3
InChIKeyNTZAVZRCAFKZPF-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.74
Rot. Bonds9

About N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide

N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide (PubChem CID 46027892) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide
PubChem CID46027892
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1C)C(=O)CC(C)C
InChIInChI=1S/C24H35N3O3/c1-18(2)16-22(28)26(14-15-29-4)17-21-23(20-11-6-5-7-12-20)25-30-24(21)27-13-9-8-10-19(27)3/h5-7,11-12,18-19H,8-10,13-17H2,1-4H3
InChIKeyNTZAVZRCAFKZPF-UHFFFAOYSA-N
XLogP4.74
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide (CID 46027892) is N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide is COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1C)C(=O)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide?
The InChIKey is NTZAVZRCAFKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-18(2)16-22(28)26(14-15-29-4)17-21-23(20-11-6-5-7-12-20)25-30-24(21)27-13-9-8-10-19(27)3/h5-7,11-12,18-19H,8-10,13-17H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide?
N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide has a molecular weight of 413.56 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide is sourced from PubChem (CID 46027892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).