N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine

C18H20N4O2 — CID 94424980

IUPACN-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
SMILESC[C@@H]1CN(c2ccc(CNc3nc4ccccc4o3)cn2)CCO1
InChIInChI=1S/C18H20N4O2/c1-13-12-22(8-9-23-13)17-7-6-14(10-19-17)11-20-18-21-15-4-2-3-5-16(15)24-18/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeySOPKUWWXEHEONR-CYBMUJFWSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds4

About N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine

N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 94424980) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
PubChem CID94424980
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
SMILESC[C@@H]1CN(c2ccc(CNc3nc4ccccc4o3)cn2)CCO1
InChIInChI=1S/C18H20N4O2/c1-13-12-22(8-9-23-13)17-7-6-14(10-19-17)11-20-18-21-15-4-2-3-5-16(15)24-18/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeySOPKUWWXEHEONR-CYBMUJFWSA-N
XLogP3.06
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 166239118
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56815402
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
7-chloro-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]quinolin-4-amine
CID 94424908
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
CID 94531051
1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382775
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 34001436
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111583942

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine (CID 94424980) is N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine is C[C@@H]1CN(c2ccc(CNc3nc4ccccc4o3)cn2)CCO1.
What is the InChIKey of N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is SOPKUWWXEHEONR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-12-22(8-9-23-13)17-7-6-14(10-19-17)11-20-18-21-15-4-2-3-5-16(15)24-18/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine?
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 324.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 94424980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).