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

C21H30N4O2 — CID 74734697

IUPACN-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCN(C)CCNC(=O)CC1CCNCC1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H30N4O2/c1-25(2)11-10-23-21(26)13-17-8-9-22-15-18(17)12-19-14-20(27-24-19)16-6-4-3-5-7-16/h3-7,14,17-18,22H,8-13,15H2,1-2H3,(H,23,26)
InChIKeyMPYXLUCBXLZXMQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.18
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 74734697) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID74734697
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCN(C)CCNC(=O)CC1CCNCC1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H30N4O2/c1-25(2)11-10-23-21(26)13-17-8-9-22-15-18(17)12-19-14-20(27-24-19)16-6-4-3-5-7-16/h3-7,14,17-18,22H,8-13,15H2,1-2H3,(H,23,26)
InChIKeyMPYXLUCBXLZXMQ-UHFFFAOYSA-N
XLogP2.18
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 74734697) is N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is CN(C)CCNC(=O)CC1CCNCC1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is MPYXLUCBXLZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-25(2)11-10-23-21(26)13-17-8-9-22-15-18(17)12-19-14-20(27-24-19)16-6-4-3-5-7-16/h3-7,14,17-18,22H,8-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 74734697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).