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

C12H14N2O — CID 60918724

IUPAC5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
SMILESCc1ccc2oc(C3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O/c1-8-4-5-11-10(7-8)14-12(15-11)9-3-2-6-13-9/h4-5,7,9,13H,2-3,6H2,1H3
InChIKeyYDLMKSMKYUFWNA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.56
Rot. Bonds1

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

5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole (PubChem CID 60918724) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
PubChem CID60918724
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
SMILESCc1ccc2oc(C3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O/c1-8-4-5-11-10(7-8)14-12(15-11)9-3-2-6-13-9/h4-5,7,9,13H,2-3,6H2,1H3
InChIKeyYDLMKSMKYUFWNA-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 ≤ 500202.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230711
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole
CID 54936947
N,N-bis[[2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]methyl]aniline
CID 66750202
7-methyl-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83859173
6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
CID 102696403
5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
CID 114425040
6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole (CID 60918724) is 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole is Cc1ccc2oc(C3CCCN3)nc2c1.
What is the InChIKey of 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
The InChIKey is YDLMKSMKYUFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-4-5-11-10(7-8)14-12(15-11)9-3-2-6-13-9/h4-5,7,9,13H,2-3,6H2,1H3.
What are the key properties of 5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole?
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole has a molecular weight of 202.26 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-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 60918724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).