2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole

C12H14N2O — CID 61372127

IUPAC2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CC3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyZMUZZKYXDXBMET-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.12
Rot. Bonds2

About 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole

2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 61372127) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
PubChem CID61372127
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CC3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyZMUZZKYXDXBMET-UHFFFAOYSA-N
XLogP2.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631464
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
N-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-benzoxazole-2-sulfonamide
CID 97166074
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-1,3-benzoxazole
CID 102682244
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
CID 106641412
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
CID 68999250

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole (CID 61372127) is 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole is c1ccc2oc(CC3CCCN3)nc2c1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is ZMUZZKYXDXBMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole?
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 202.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 61372127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).