N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine

C23H23N3O2 — CID 102258500

IUPACN-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine
SMILESCN(CCOc1ccc(C2=NOC(c3ccccc3)C2)cc1)c1ccccn1
InChIInChI=1S/C23H23N3O2/c1-26(23-9-5-6-14-24-23)15-16-27-20-12-10-18(11-13-20)21-17-22(28-25-21)19-7-3-2-4-8-19/h2-14,22H,15-17H2,1H3
InChIKeyZTFLSALHZPWMGD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.46
Rot. Bonds7

About N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine

N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine (PubChem CID 102258500) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine
PubChem CID102258500
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine
SMILESCN(CCOc1ccc(C2=NOC(c3ccccc3)C2)cc1)c1ccccn1
InChIInChI=1S/C23H23N3O2/c1-26(23-9-5-6-14-24-23)15-16-27-20-12-10-18(11-13-20)21-17-22(28-25-21)19-7-3-2-4-8-19/h2-14,22H,15-17H2,1H3
InChIKeyZTFLSALHZPWMGD-UHFFFAOYSA-N
XLogP4.46
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-sulfanylpropanoic acid
CID 23362224
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidin-3-ium-2,4-dione
CID 163606389
2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile
CID 18794786
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
CID 10414821
N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306
5-(4-bromophenyl)-3-[4-[2-(6-octoxynaphthalen-2-yl)ethynyl]phenyl]-4,5-dihydro-1,2-oxazole
CID 102172301
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
CID 46782305

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine (CID 102258500) is N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine is CN(CCOc1ccc(C2=NOC(c3ccccc3)C2)cc1)c1ccccn1.
What is the InChIKey of N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
The InChIKey is ZTFLSALHZPWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(23-9-5-6-14-24-23)15-16-27-20-12-10-18(11-13-20)21-17-22(28-25-21)19-7-3-2-4-8-19/h2-14,22H,15-17H2,1H3.
What are the key properties of N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]ethyl]pyridin-2-amine is sourced from PubChem (CID 102258500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).