1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine

C19H25N3O3 — CID 135164915

IUPAC1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine
SMILESC=CCOc1cc(CNCC2CNC2)cc(OCc2cc(C)on2)c1
InChIInChI=1S/C19H25N3O3/c1-3-4-23-18-6-15(9-20-10-16-11-21-12-16)7-19(8-18)24-13-17-5-14(2)25-22-17/h3,5-8,16,20-21H,1,4,9-13H2,2H3
InChIKeyJXKVEZAGDKJLML-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.44
Rot. Bonds10

About 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine

1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine (PubChem CID 135164915) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine
PubChem CID135164915
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine
SMILESC=CCOc1cc(CNCC2CNC2)cc(OCc2cc(C)on2)c1
InChIInChI=1S/C19H25N3O3/c1-3-4-23-18-6-15(9-20-10-16-11-21-12-16)7-19(8-18)24-13-17-5-14(2)25-22-17/h3,5-8,16,20-21H,1,4,9-13H2,2H3
InChIKeyJXKVEZAGDKJLML-UHFFFAOYSA-N
XLogP2.44
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135164843
1-(azetidin-3-yl)-N-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-prop-2-enoxyphenyl]methyl]methanamine
CID 135174140
1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine
CID 135164831
1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethenyl]phenyl]methyl]methanamine
CID 135174194
1-(azetidin-3-yl)-N-[[3-[(4-tert-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine
CID 135164809
1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine
CID 135174192
2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63063411
2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63057932
N-(azetidin-3-ylmethyl)-N'-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]ethane-1,2-diamine
CID 135174217
1-(azetidin-3-yl)-N-[[3-[(2-bromo-3-pyridinyl)methoxy]phenyl]methyl]methanamine
CID 135164649
[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69141410
N-[[3-[(E)-2-(6-isocyano-2-pyridinyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 140880496

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine (CID 135164915) is 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine is C=CCOc1cc(CNCC2CNC2)cc(OCc2cc(C)on2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine?
The InChIKey is JXKVEZAGDKJLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-4-23-18-6-15(9-20-10-16-11-21-12-16)7-19(8-18)24-13-17-5-14(2)25-22-17/h3,5-8,16,20-21H,1,4,9-13H2,2H3.
What are the key properties of 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine?
1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine has a molecular weight of 343.43 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine is sourced from PubChem (CID 135164915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).