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

C27H34N4O2 — CID 24719374

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1
InChIInChI=1S/C27H34N4O2/c1-21-12-14-23(15-13-21)26(32)31(19-18-29(2)3)20-24-25(22-10-6-4-7-11-22)28-33-27(24)30-16-8-5-9-17-30/h4,6-7,10-15H,5,8-9,16-20H2,1-3H3
InChIKeyXTQOKSWSTYRPGU-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.84
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 24719374) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID24719374
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1
InChIInChI=1S/C27H34N4O2/c1-21-12-14-23(15-13-21)26(32)31(19-18-29(2)3)20-24-25(22-10-6-4-7-11-22)28-33-27(24)30-16-8-5-9-17-30/h4,6-7,10-15H,5,8-9,16-20H2,1-3H3
InChIKeyXTQOKSWSTYRPGU-UHFFFAOYSA-N
XLogP4.84
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 24719374) is N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is Cc1ccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is XTQOKSWSTYRPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-21-12-14-23(15-13-21)26(32)31(19-18-29(2)3)20-24-25(22-10-6-4-7-11-22)28-33-27(24)30-16-8-5-9-17-30/h4,6-7,10-15H,5,8-9,16-20H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24719374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).