6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one

C15H18N2O4 — CID 82357321

IUPAC6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2cc(CO)ccc21)N1CCCCC1
InChIInChI=1S/C15H18N2O4/c18-10-11-4-5-12-13(8-11)21-15(20)17(12)9-14(19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7,9-10H2
InChIKeyCRTCUPXIABNSGT-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds3

About 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one

6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 82357321) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
PubChem CID82357321
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2cc(CO)ccc21)N1CCCCC1
InChIInChI=1S/C15H18N2O4/c18-10-11-4-5-12-13(8-11)21-15(20)17(12)9-14(19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7,9-10H2
InChIKeyCRTCUPXIABNSGT-UHFFFAOYSA-N
XLogP1.10
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 20879564
propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 82357335
5-[[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylic acid
CID 82357412
3-[3-(azepan-1-yl)-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one
CID 9036821
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533
6-chloro-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-benzoxazol-2-one
CID 27670432
1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide
CID 167968453
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 166406072
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one (CID 82357321) is 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2cc(CO)ccc21)N1CCCCC1.
What is the InChIKey of 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is CRTCUPXIABNSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-10-11-4-5-12-13(8-11)21-15(20)17(12)9-14(19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7,9-10H2.
What are the key properties of 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one?
6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 82357321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).