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

C11H11ClN2O — CID 63032538

IUPAC5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
SMILESClc1ccc2oc(C3CCNC3)nc2c1
InChIInChI=1S/C11H11ClN2O/c12-8-1-2-10-9(5-8)14-11(15-10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2
InChIKeyJUIDVCZJKDPNNF-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.56
Rot. Bonds1

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

5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole (PubChem CID 63032538) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
PubChem CID63032538
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
SMILESClc1ccc2oc(C3CCNC3)nc2c1
InChIInChI=1S/C11H11ClN2O/c12-8-1-2-10-9(5-8)14-11(15-10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2
InChIKeyJUIDVCZJKDPNNF-UHFFFAOYSA-N
XLogP2.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119856661
5-chloro-2-(3-methylpyrrolidin-2-yl)-1,3-benzoxazole
CID 102781238
5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole
CID 82720359
5-chloro-2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 75615042
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 71939783
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide
CID 167088226
cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323743
5-chloro-2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55766602

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole (CID 63032538) is 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole is Clc1ccc2oc(C3CCNC3)nc2c1.
What is the InChIKey of 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole?
The InChIKey is JUIDVCZJKDPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-8-1-2-10-9(5-8)14-11(15-10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2.
What are the key properties of 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole?
5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole has a molecular weight of 222.67 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 63032538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).