3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one

C25H27N5O3 — CID 89399355

IUPAC3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one
SMILESCc1ccc(OCCN(C)C)cc1Nc1ncc(-c2cc(N)cc(-c3ccc[nH]c3=O)c2)o1
InChIInChI=1S/C25H27N5O3/c1-16-6-7-20(32-10-9-30(2)3)14-22(16)29-25-28-15-23(33-25)18-11-17(12-19(26)13-18)21-5-4-8-27-24(21)31/h4-8,11-15H,9-10,26H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyLDQQVSGKGUFNBI-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.27
Rot. Bonds8

About 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one

3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one (PubChem CID 89399355) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one
PubChem CID89399355
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one
SMILESCc1ccc(OCCN(C)C)cc1Nc1ncc(-c2cc(N)cc(-c3ccc[nH]c3=O)c2)o1
InChIInChI=1S/C25H27N5O3/c1-16-6-7-20(32-10-9-30(2)3)14-22(16)29-25-28-15-23(33-25)18-11-17(12-19(26)13-18)21-5-4-8-27-24(21)31/h4-8,11-15H,9-10,26H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyLDQQVSGKGUFNBI-UHFFFAOYSA-N
XLogP4.27
TPSA109.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one (CID 89399355) is 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one is Cc1ccc(OCCN(C)C)cc1Nc1ncc(-c2cc(N)cc(-c3ccc[nH]c3=O)c2)o1.
What is the InChIKey of 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one?
The InChIKey is LDQQVSGKGUFNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16-6-7-20(32-10-9-30(2)3)14-22(16)29-25-28-15-23(33-25)18-11-17(12-19(26)13-18)21-5-4-8-27-24(21)31/h4-8,11-15H,9-10,26H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one?
3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one has a molecular weight of 445.52 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-5-[2-[5-[2-(dimethylamino)ethoxy]-2-methylanilino]-1,3-oxazol-5-yl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 89399355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).