3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one

C26H28N4O3 — CID 71243505

IUPAC3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C)cc(Nc2ncc(-c3cc(OCCCN)cc(-c4c(C)cc[nH]c4=O)c3)o2)c1
InChIInChI=1S/C26H28N4O3/c1-16-9-17(2)11-21(10-16)30-26-29-15-23(33-26)19-12-20(14-22(13-19)32-8-4-6-27)24-18(3)5-7-28-25(24)31/h5,7,9-15H,4,6,8,27H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyYSNATNSQQTZRIA-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.09
Rot. Bonds8

About 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one

3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one (PubChem CID 71243505) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one
PubChem CID71243505
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C)cc(Nc2ncc(-c3cc(OCCCN)cc(-c4c(C)cc[nH]c4=O)c3)o2)c1
InChIInChI=1S/C26H28N4O3/c1-16-9-17(2)11-21(10-16)30-26-29-15-23(33-26)19-12-20(14-22(13-19)32-8-4-6-27)24-18(3)5-7-28-25(24)31/h5,7,9-15H,4,6,8,27H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyYSNATNSQQTZRIA-UHFFFAOYSA-N
XLogP5.09
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329852
N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329853
N-(4-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329851
N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329846
8-[5-(4-Methoxyphenyl)oxazol-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964282
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine;hydrochloride
CID 11231939
4-(5-(3-Methoxyphenyl)oxazol-2-ylamino)phenol
CID 46880467
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
CID 139441276
3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
CID 139441354
N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide
CID 139441297

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one (CID 71243505) is 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one is Cc1cc(C)cc(Nc2ncc(-c3cc(OCCCN)cc(-c4c(C)cc[nH]c4=O)c3)o2)c1.
What is the InChIKey of 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one?
The InChIKey is YSNATNSQQTZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-9-17(2)11-21(10-16)30-26-29-15-23(33-26)19-12-20(14-22(13-19)32-8-4-6-27)24-18(3)5-7-28-25(24)31/h5,7,9-15H,4,6,8,27H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one?
3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one has a molecular weight of 444.54 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropoxy)-5-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]phenyl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 71243505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).