3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one

C19H19N3O3 — CID 39161903

IUPAC3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(Cn2c(=O)oc3ccccc32)c1)N1CCNCC1
InChIInChI=1S/C19H19N3O3/c23-18(21-10-8-20-9-11-21)15-5-3-4-14(12-15)13-22-16-6-1-2-7-17(16)25-19(22)24/h1-7,12,20H,8-11,13H2
InChIKeyOGORJCYYMTWWQW-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.69
Rot. Bonds3

About 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one

3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one (PubChem CID 39161903) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one
PubChem CID39161903
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(Cn2c(=O)oc3ccccc32)c1)N1CCNCC1
InChIInChI=1S/C19H19N3O3/c23-18(21-10-8-20-9-11-21)15-5-3-4-14(12-15)13-22-16-6-1-2-7-17(16)25-19(22)24/h1-7,12,20H,8-11,13H2
InChIKeyOGORJCYYMTWWQW-UHFFFAOYSA-N
XLogP1.69
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146763
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
2-[2-oxo-5-(piperazine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 82062931
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822
[3-(benzenesulfonylmethyl)phenyl]-piperazin-1-ylmethanone
CID 119403801
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
ethyl 1-(3-benzyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperidine-4-carboxylate
CID 20955907
6-(1,4-diazepane-1-carbonyl)-3-methyl-1,3-benzoxazol-2-one
CID 82062962
5-(piperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 82062834

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one (CID 39161903) is 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one is O=C(c1cccc(Cn2c(=O)oc3ccccc32)c1)N1CCNCC1.
What is the InChIKey of 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is OGORJCYYMTWWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(21-10-8-20-9-11-21)15-5-3-4-14(12-15)13-22-16-6-1-2-7-17(16)25-19(22)24/h1-7,12,20H,8-11,13H2.
What are the key properties of 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one?
3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 39161903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).