3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one

C16H18N2O4 — CID 2562058

IUPAC3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
SMILESO=C1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C16H18N2O4/c19-12-7-10-17(11-8-12)15(20)6-3-9-18-13-4-1-2-5-14(13)22-16(18)21/h1-2,4-5H,3,6-11H2
InChIKeySNBXSJONFHRTOD-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.57
Rot. Bonds4

About 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one

3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one (PubChem CID 2562058) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
PubChem CID2562058
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
SMILESO=C1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C16H18N2O4/c19-12-7-10-17(11-8-12)15(20)6-3-9-18-13-4-1-2-5-14(13)22-16(18)21/h1-2,4-5H,3,6-11H2
InChIKeySNBXSJONFHRTOD-UHFFFAOYSA-N
XLogP1.57
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
CID 720147
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774
3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazole-2(3H)-thione
CID 4572191
2-Benzoxazolinone, 3-allyl-
CID 25999
3-Acetyl-2(3H)-benzoxazolone
CID 32752
2(3H)-Benzoxazolone, 3-ethyl-
CID 35453
(2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
CID 737119
3-[7-[4-(2-Methoxyphenyl)piperazin-1-yl]heptyl]-1,3-benzoxazol-2-one
CID 118713687

Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one (CID 2562058) is 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one is O=C1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1.
What is the InChIKey of 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one?
The InChIKey is SNBXSJONFHRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-12-7-10-17(11-8-12)15(20)6-3-9-18-13-4-1-2-5-14(13)22-16(18)21/h1-2,4-5H,3,6-11H2.
What are the key properties of 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one?
3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one has a molecular weight of 302.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-4-(4-oxopiperidin-1-yl)butyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2562058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).