5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole

C13H16N2O2 — CID 66434043

IUPAC5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1ccc2oc(CC3CNCCO3)nc2c1
InChIInChI=1S/C13H16N2O2/c1-9-2-3-12-11(6-9)15-13(17-12)7-10-8-14-4-5-16-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyXDCHEHVUPXWVGW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.67
Rot. Bonds2

About 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole

5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 66434043) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
PubChem CID66434043
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1ccc2oc(CC3CNCCO3)nc2c1
InChIInChI=1S/C13H16N2O2/c1-9-2-3-12-11(6-9)15-13(17-12)7-10-8-14-4-5-16-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyXDCHEHVUPXWVGW-UHFFFAOYSA-N
XLogP1.67
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
CID 60918378
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)butan-2-amine
CID 62048509
5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride
CID 160674405
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
CID 115237653
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
CID 79817912

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole (CID 66434043) is 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole is Cc1ccc2oc(CC3CNCCO3)nc2c1.
What is the InChIKey of 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is XDCHEHVUPXWVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-2-3-12-11(6-9)15-13(17-12)7-10-8-14-4-5-16-10/h2-3,6,10,14H,4-5,7-8H2,1H3.
What are the key properties of 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole?
5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 66434043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).