2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole

C13H17N3O — CID 63553534

IUPAC2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
SMILESCCC1CNCCN1c1nc2ccccc2o1
InChIInChI=1S/C13H17N3O/c1-2-10-9-14-7-8-16(10)13-15-11-5-3-4-6-12(11)17-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyJWYNOPKTWSEZLT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds2

About 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole

2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 63553534) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
PubChem CID63553534
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
SMILESCCC1CNCCN1c1nc2ccccc2o1
InChIInChI=1S/C13H17N3O/c1-2-10-9-14-7-8-16(10)13-15-11-5-3-4-6-12(11)17-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyJWYNOPKTWSEZLT-UHFFFAOYSA-N
XLogP2.02
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797360
(2R)-1-(1,3-benzoxazol-2-yl)piperazine-2-carboxylic acid
CID 97055425
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66796479
2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-benzoxazole
CID 112748225
6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
CID 66797481
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658
3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63759489
5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 59671539
6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797247

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole (CID 63553534) is 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole is CCC1CNCCN1c1nc2ccccc2o1.
What is the InChIKey of 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole?
The InChIKey is JWYNOPKTWSEZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-10-9-14-7-8-16(10)13-15-11-5-3-4-6-12(11)17-13/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole?
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 231.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 63553534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).