5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole

C11H11ClN2O — CID 119084724

IUPAC5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
SMILESClc1ccc2oc(N3CCCC3)nc2c1
InChIInChI=1S/C11H11ClN2O/c12-8-3-4-10-9(7-8)13-11(15-10)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyPXDFIVUIKOGHJC-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.08
Rot. Bonds1

About 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole

5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole (PubChem CID 119084724) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
PubChem CID119084724
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
SMILESClc1ccc2oc(N3CCCC3)nc2c1
InChIInChI=1S/C11H11ClN2O/c12-8-3-4-10-9(7-8)13-11(15-10)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyPXDFIVUIKOGHJC-UHFFFAOYSA-N
XLogP3.08
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108776801
5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 171335686
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 154883057
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800806
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
CID 102300837

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole (CID 119084724) is 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole is Clc1ccc2oc(N3CCCC3)nc2c1.
What is the InChIKey of 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole?
The InChIKey is PXDFIVUIKOGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-8-3-4-10-9(7-8)13-11(15-10)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole?
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole has a molecular weight of 222.68 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 119084724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).