N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine

C14H19N3O2 — CID 115237653

IUPACN-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1nc2ccc(CNCC3CNCCO3)cc2o1
InChIInChI=1S/C14H19N3O2/c1-10-17-13-3-2-11(6-14(13)19-10)7-16-9-12-8-15-4-5-18-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3
InChIKeyIWAXLEOFNZQBAZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds4

About N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine

N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine (PubChem CID 115237653) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
PubChem CID115237653
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1nc2ccc(CNCC3CNCCO3)cc2o1
InChIInChI=1S/C14H19N3O2/c1-10-17-13-3-2-11(6-14(13)19-10)7-16-9-12-8-15-4-5-18-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3
InChIKeyIWAXLEOFNZQBAZ-UHFFFAOYSA-N
XLogP1.21
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
2-(4-ethylphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237698
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662
2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 116925486
(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone
CID 116919555
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237709
4-[(2-methyl-1,3-benzoxazol-6-yl)methylamino]butanoic acid
CID 115218629
N-[(3-methylphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239213
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine?
The IUPAC name of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine (CID 115237653) is N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine?
The canonical SMILES for N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine is Cc1nc2ccc(CNCC3CNCCO3)cc2o1.
What is the InChIKey of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine?
The InChIKey is IWAXLEOFNZQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-17-13-3-2-11(6-14(13)19-10)7-16-9-12-8-15-4-5-18-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine?
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 115237653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).