5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine

C18H18N4O3 — CID 131983301

IUPAC5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine
SMILESC=N/C=C\N(C)c1nc2cc(OCc3ccc(OC)cn3)ccc2o1
InChIInChI=1S/C18H18N4O3/c1-19-8-9-22(2)18-21-16-10-14(6-7-17(16)25-18)24-12-13-4-5-15(23-3)11-20-13/h4-11H,1,12H2,2-3H3/b9-8-
InChIKeyCMMNNFVETXJORB-HJWRWDBZSA-N
MW338.37 g/mol
LogP3.42
Rot. Bonds7

About 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine

5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine (PubChem CID 131983301) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine
PubChem CID131983301
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine
SMILESC=N/C=C\N(C)c1nc2cc(OCc3ccc(OC)cn3)ccc2o1
InChIInChI=1S/C18H18N4O3/c1-19-8-9-22(2)18-21-16-10-14(6-7-17(16)25-18)24-12-13-4-5-15(23-3)11-20-13/h4-11H,1,12H2,2-3H3/b9-8-
InChIKeyCMMNNFVETXJORB-HJWRWDBZSA-N
XLogP3.42
TPSA72.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-{[2-({4-chloro-3-[2-(dimethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11248659
4-{[2-({4-chloro-3-[2-(diethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11352732
4-{2-[4-chloro-3-((2S)-1-methyl-pyrrolidin-2-ylmethoxy)-phenylamino]-benzooxazol-5-yloxy}-pyridine-2-carboxylic acid amide
CID 11454711
4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 11620410
4-({2-[(4-Chlorophenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide
CID 17755310
4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040407
4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436
4-(2-(3-tert-butyl phenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 54584640
N-methyl-4-(2-(4-phenoxyphenylamino)benzo[d]oxazol-5-yloxy)picolinamide
CID 22040368
4-(2-(4-(dimethylamino)phenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040397
4-(2-(2-chlorophenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040722
4-(2-(2-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040796

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine (CID 131983301) is 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine is C=N/C=C\N(C)c1nc2cc(OCc3ccc(OC)cn3)ccc2o1.
What is the InChIKey of 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine?
The InChIKey is CMMNNFVETXJORB-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-19-8-9-22(2)18-21-16-10-14(6-7-17(16)25-18)24-12-13-4-5-15(23-3)11-20-13/h4-11H,1,12H2,2-3H3/b9-8-.
What are the key properties of 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine?
5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine has a molecular weight of 338.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 131983301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).