2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole

C14H18N2O — CID 116925486

IUPAC2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CCC3CCNC3)cc2o1
InChIInChI=1S/C14H18N2O/c1-10-16-13-5-4-11(8-14(13)17-10)2-3-12-6-7-15-9-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3
InChIKeyNDVMKRUVFUJSCD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds3

About 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole

2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole (PubChem CID 116925486) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
PubChem CID116925486
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CCC3CCNC3)cc2o1
InChIInChI=1S/C14H18N2O/c1-10-16-13-5-4-11(8-14(13)17-10)2-3-12-6-7-15-9-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3
InChIKeyNDVMKRUVFUJSCD-UHFFFAOYSA-N
XLogP2.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 116925708
N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115210683
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
6-chloro-2-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 58200841
6-decyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzoxazol-2-amine
CID 172873735
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210874
N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]cyclopropanamine
CID 96672948
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
CID 115237653
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole (CID 116925486) is 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole is Cc1nc2ccc(CCC3CCNC3)cc2o1.
What is the InChIKey of 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole?
The InChIKey is NDVMKRUVFUJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-16-13-5-4-11(8-14(13)17-10)2-3-12-6-7-15-9-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3.
What are the key properties of 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole?
2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 116925486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).