3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C17H17ClN4O2 — CID 3073123

IUPAC3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN4O2/c18-13-4-1-2-5-14(13)21-10-8-20(9-11-21)12-22-16-15(24-17(22)23)6-3-7-19-16/h1-7H,8-12H2
InChIKeyICHILAZMLXDLLU-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.42
Rot. Bonds3

About 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3073123) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3073123
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN4O2/c18-13-4-1-2-5-14(13)21-10-8-20(9-11-21)12-22-16-15(24-17(22)23)6-3-7-19-16/h1-7H,8-12H2
InChIKeyICHILAZMLXDLLU-UHFFFAOYSA-N
XLogP2.42
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3073123) is 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is ICHILAZMLXDLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-13-4-1-2-5-14(13)21-10-8-20(9-11-21)12-22-16-15(24-17(22)23)6-3-7-19-16/h1-7H,8-12H2.
What are the key properties of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3073123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).