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

C19H26N4O2 — CID 138034701

IUPACN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide
SMILESCN(C)C1CCN(CCNC(=O)c2cccc(-c3cnco3)c2)CC1
InChIInChI=1S/C19H26N4O2/c1-22(2)17-6-9-23(10-7-17)11-8-21-19(24)16-5-3-4-15(12-16)18-13-20-14-25-18/h3-5,12-14,17H,6-11H2,1-2H3,(H,21,24)
InChIKeyYMVJAXAQRLHEPF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.10
Rot. Bonds6

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

N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide (PubChem CID 138034701) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide
PubChem CID138034701
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide
SMILESCN(C)C1CCN(CCNC(=O)c2cccc(-c3cnco3)c2)CC1
InChIInChI=1S/C19H26N4O2/c1-22(2)17-6-9-23(10-7-17)11-8-21-19(24)16-5-3-4-15(12-16)18-13-20-14-25-18/h3-5,12-14,17H,6-11H2,1-2H3,(H,21,24)
InChIKeyYMVJAXAQRLHEPF-UHFFFAOYSA-N
XLogP2.10
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide (CID 138034701) is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide is CN(C)C1CCN(CCNC(=O)c2cccc(-c3cnco3)c2)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide?
The InChIKey is YMVJAXAQRLHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(2)17-6-9-23(10-7-17)11-8-21-19(24)16-5-3-4-15(12-16)18-13-20-14-25-18/h3-5,12-14,17H,6-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide?
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 138034701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).