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

C12H14N2O2 — CID 82230801

IUPAC5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
SMILESCOc1ccc2oc(C3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O2/c1-15-8-4-5-11-10(7-8)14-12(16-11)9-3-2-6-13-9/h4-5,7,9,13H,2-3,6H2,1H3
InChIKeyIPZIGCCBKPYMOO-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.26
Rot. Bonds2

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

5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole (PubChem CID 82230801) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
PubChem CID82230801
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
SMILESCOc1ccc2oc(C3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O2/c1-15-8-4-5-11-10(7-8)14-12(16-11)9-3-2-6-13-9/h4-5,7,9,13H,2-3,6H2,1H3
InChIKeyIPZIGCCBKPYMOO-UHFFFAOYSA-N
XLogP2.26
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
CID 102696403
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230711
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
N,N-bis[[2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]methyl]aniline
CID 66750202
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 102697022
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole?
The IUPAC name of 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole (CID 82230801) is 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole is COc1ccc2oc(C3CCCN3)nc2c1.
What is the InChIKey of 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole?
The InChIKey is IPZIGCCBKPYMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-8-4-5-11-10(7-8)14-12(16-11)9-3-2-6-13-9/h4-5,7,9,13H,2-3,6H2,1H3.
What are the key properties of 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole?
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole has a molecular weight of 218.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 82230801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).