2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole

C13H17NO2 — CID 162021021

IUPAC2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole
SMILESCC1Oc2ccccc2N1CC1CCCO1
InChIInChI=1S/C13H17NO2/c1-10-14(9-11-5-4-8-15-11)12-6-2-3-7-13(12)16-10/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyZWVLJYDLAVENDI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds2

About 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole

2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole (PubChem CID 162021021) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole
PubChem CID162021021
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole
SMILESCC1Oc2ccccc2N1CC1CCCO1
InChIInChI=1S/C13H17NO2/c1-10-14(9-11-5-4-8-15-11)12-6-2-3-7-13(12)16-10/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyZWVLJYDLAVENDI-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
CID 117006680
(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one
CID 41121461
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
N,N-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
CID 134076312
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
CID 59352543
N,N-dimethyl-2-(oxolan-2-ylmethyl)pyrazol-3-amine
CID 142163207
1'-[[(2R)-oxolan-2-yl]methyl]spiro[2,6-dihydrofuro[2,3-c]pyridine-3,3'-indole]-2',5-dione
CID 46832689
methyl (2R)-4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 8655507
3-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125151681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole (CID 162021021) is 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole is CC1Oc2ccccc2N1CC1CCCO1.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole?
The InChIKey is ZWVLJYDLAVENDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-14(9-11-5-4-8-15-11)12-6-2-3-7-13(12)16-10/h2-3,6-7,10-11H,4-5,8-9H2,1H3.
What are the key properties of 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole?
2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole has a molecular weight of 219.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole is sourced from PubChem (CID 162021021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).