3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C24H22N4O2 — CID 155375618

IUPAC3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESC=NCc1ccc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-26-15-18-4-6-19(7-5-18)16-29-21-10-8-17(9-11-21)13-20-14-23(30-28-20)22-3-2-12-27-24(22)25/h2-12,14H,1,13,15-16H2,(H2,25,27)
InChIKeyGSTIPVOACBJILM-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.69
Rot. Bonds8

About 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 155375618) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID155375618
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESC=NCc1ccc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-26-15-18-4-6-19(7-5-18)16-29-21-10-8-17(9-11-21)13-20-14-23(30-28-20)22-3-2-12-27-24(22)25/h2-12,14H,1,13,15-16H2,(H2,25,27)
InChIKeyGSTIPVOACBJILM-UHFFFAOYSA-N
XLogP4.69
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[4-(phenoxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255496
3-[3-[[4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682375
3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843
ethane;3-[3-[[4-[(E)-2-methyl-4-methyliminobut-2-enoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 143451276
3-[3-[[6-[3-(4-phenylmethoxyphenyl)propoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682477
3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 148913175
3-[3-[[4-[(2,6-difluoro-4-pyridinyl)methyl]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682322
3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682184
3-[3-[[6-[(2-bromo-4-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682075
3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682443
3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255147
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682145

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 155375618) is 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is C=NCc1ccc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cc2)cc1.
What is the InChIKey of 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is GSTIPVOACBJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-26-15-18-4-6-19(7-5-18)16-29-21-10-8-17(9-11-21)13-20-14-23(30-28-20)22-3-2-12-27-24(22)25/h2-12,14H,1,13,15-16H2,(H2,25,27).
What are the key properties of 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 155375618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).