4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

C28H35N3O3 — CID 24718151

IUPAC4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1
InChIInChI=1S/C28H35N3O3/c1-21(2)16-19-31(27(32)23-12-14-24(33-3)15-13-23)20-25-26(22-10-6-4-7-11-22)29-34-28(25)30-17-8-5-9-18-30/h4,6-7,10-15,21H,5,8-9,16-20H2,1-3H3
InChIKeySNISIEUOCBPBOC-UHFFFAOYSA-N
MW461.61 g/mol
LogP6.03
Rot. Bonds9

About 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 24718151) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID24718151
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1
InChIInChI=1S/C28H35N3O3/c1-21(2)16-19-31(27(32)23-12-14-24(33-3)15-13-23)20-25-26(22-10-6-4-7-11-22)29-34-28(25)30-17-8-5-9-18-30/h4,6-7,10-15,21H,5,8-9,16-20H2,1-3H3
InChIKeySNISIEUOCBPBOC-UHFFFAOYSA-N
XLogP6.03
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 24718151) is 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is COc1ccc(C(=O)N(CCC(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1.
What is the InChIKey of 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is SNISIEUOCBPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-21(2)16-19-31(27(32)23-12-14-24(33-3)15-13-23)20-25-26(22-10-6-4-7-11-22)29-34-28(25)30-17-8-5-9-18-30/h4,6-7,10-15,21H,5,8-9,16-20H2,1-3H3.
What are the key properties of 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24718151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).