5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole

C12H14ClN3O2 — CID 144772504

IUPAC5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole
SMILESCOc1cc(Cl)cc2nc(N3CCNCC3)oc12
InChIInChI=1S/C12H14ClN3O2/c1-17-10-7-8(13)6-9-11(10)18-12(15-9)16-4-2-14-3-5-16/h6-7,14H,2-5H2,1H3
InChIKeyKDODAGFWPHNJGN-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.90
Rot. Bonds2

About 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole

5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole (PubChem CID 144772504) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole
PubChem CID144772504
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole
SMILESCOc1cc(Cl)cc2nc(N3CCNCC3)oc12
InChIInChI=1S/C12H14ClN3O2/c1-17-10-7-8(13)6-9-11(10)18-12(15-9)16-4-2-14-3-5-16/h6-7,14H,2-5H2,1H3
InChIKeyKDODAGFWPHNJGN-UHFFFAOYSA-N
XLogP1.90
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-7-methoxy-1,3-benzoxazole
CID 131003018
5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82231812
5,7-dichloro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole;phosphane;pentahydrochloride
CID 173248750
[5-chloro-2-(2-methylpiperazin-1-yl)-1,3-benzoxazol-7-yl]methanol
CID 121331236
5-chloro-2-(2-methylpiperazin-1-yl)-7-methylsulfonyl-1,3-benzoxazole
CID 121331050
6-chloro-5-fluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82232681
5-chloro-N,N-dimethyl-2-(2-methylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide
CID 121331051
5-chloro-7-(5-methylfuran-2-yl)-2-(2-methylpiperazin-1-yl)-1,3-benzoxazole
CID 121331198
5-chloro-2-(2-methylpiperazin-1-yl)-7-thiophen-2-yl-1,3-benzoxazole
CID 121331429
5-chloro-7-ethyl-3H-1,3-benzoxazole-2-thione;5-chloro-7-ethyl-2-[(2S)-2-methylpiperazin-1-yl]-1,3-benzoxazole
CID 160502135
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole (CID 144772504) is 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole is COc1cc(Cl)cc2nc(N3CCNCC3)oc12.
What is the InChIKey of 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is KDODAGFWPHNJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-17-10-7-8(13)6-9-11(10)18-12(15-9)16-4-2-14-3-5-16/h6-7,14H,2-5H2,1H3.
What are the key properties of 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole?
5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 267.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-2-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 144772504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).