5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one

C13H15ClN2O2 — CID 82105315

IUPAC5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CC1CCNCC1
InChIInChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)16(13(17)18-12)8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyUZGBKJHQPXIZKX-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.25
Rot. Bonds2

About 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one

5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 82105315) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID82105315
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CC1CCNCC1
InChIInChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)16(13(17)18-12)8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyUZGBKJHQPXIZKX-UHFFFAOYSA-N
XLogP2.25
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one
CID 118259001
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl chloride
CID 12547768
3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
CID 61345343
5-chloro-3-[[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-1,3-benzoxazol-2-one
CID 94552383
1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 47023313
5-tert-butyl-3-(oxan-4-ylmethyl)-1,3-benzoxazol-2-one
CID 118259004
3-(3-bromo-2-oxopropyl)-5-chloro-1,3-benzoxazol-2-one
CID 12577340
5-chloro-3-[[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-benzoxazol-2-one
CID 42950436
3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
CID 116925717
6-amino-3-(cyclobutylmethyl)-1,3-benzoxazol-2-one
CID 65458515
4-[(7-chloro-1,5-dihydro-2,4-benzodioxepin-3-yl)methyl]piperidine
CID 115062623
methyl 8-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 12961165

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one (CID 82105315) is 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one is O=c1oc2ccc(Cl)cc2n1CC1CCNCC1.
What is the InChIKey of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is UZGBKJHQPXIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)16(13(17)18-12)8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one?
5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 82105315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).