6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

C17H20N4O2 — CID 119050255

IUPAC6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(CN3CCC(n4ccnc4)CC3)ccc21
InChIInChI=1S/C17H20N4O2/c1-19-15-3-2-13(10-16(15)23-17(19)22)11-20-7-4-14(5-8-20)21-9-6-18-12-21/h2-3,6,9-10,12,14H,4-5,7-8,11H2,1H3
InChIKeyYSODJJJIXIPLPG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds3

About 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 119050255) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID119050255
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(CN3CCC(n4ccnc4)CC3)ccc21
InChIInChI=1S/C17H20N4O2/c1-19-15-3-2-13(10-16(15)23-17(19)22)11-20-7-4-14(5-8-20)21-9-6-18-12-21/h2-3,6,9-10,12,14H,4-5,7-8,11H2,1H3
InChIKeyYSODJJJIXIPLPG-UHFFFAOYSA-N
XLogP2.17
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 67576238
1-(1-benzylpyrrolidin-3-yl)imidazole
CID 18712879
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
CID 58877698
2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 75463124
6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 167849346
3-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one
CID 14751607
3-methyl-6-[4-(4-phenylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 21474237
6-(azetidin-3-ylmethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116925346
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine
CID 75463426
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130

Frequently Asked Questions

What is the IUPAC name of 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 119050255) is 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(CN3CCC(n4ccnc4)CC3)ccc21.
What is the InChIKey of 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is YSODJJJIXIPLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-19-15-3-2-13(10-16(15)23-17(19)22)11-20-7-4-14(5-8-20)21-9-6-18-12-21/h2-3,6,9-10,12,14H,4-5,7-8,11H2,1H3.
What are the key properties of 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 119050255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).