3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine

C25H24N4O2 — CID 123788680

IUPAC3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine
SMILESC=CC=Cn1cnc(-c2ccc(-c3c(C)noc3C)cc2)c1Nc1ccc(OC)cc1
InChIInChI=1S/C25H24N4O2/c1-5-6-15-29-16-26-24(25(29)27-21-11-13-22(30-4)14-12-21)20-9-7-19(8-10-20)23-17(2)28-31-18(23)3/h5-16,27H,1H2,2-4H3
InChIKeySMYGOTWVLVDZGX-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.23
Rot. Bonds7

About 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine

3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine (PubChem CID 123788680) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine
PubChem CID123788680
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine
SMILESC=CC=Cn1cnc(-c2ccc(-c3c(C)noc3C)cc2)c1Nc1ccc(OC)cc1
InChIInChI=1S/C25H24N4O2/c1-5-6-15-29-16-26-24(25(29)27-21-11-13-22(30-4)14-12-21)20-9-7-19(8-10-20)23-17(2)28-31-18(23)3/h5-16,27H,1H2,2-4H3
InChIKeySMYGOTWVLVDZGX-UHFFFAOYSA-N
XLogP6.23
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyanilino)benzonitrile
CID 126602162
N-tert-butyl-6-chloro-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;bis(N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine);N-cyclohexyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 159481832
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
N-(4-methoxyphenyl)-3,6-dimethyl-7H-[1,2]oxazolo[5,4-c]pyridin-4-amine
CID 69188195
5-bromo-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)-1-methylpyrrole-2-carbonitrile
CID 67116126
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-[(3Z)-2-methylidenehexa-3,5-dienyl]carbazole-4-carbonitrile
CID 145261859
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 53054335

Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine (CID 123788680) is 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine is C=CC=Cn1cnc(-c2ccc(-c3c(C)noc3C)cc2)c1Nc1ccc(OC)cc1.
What is the InChIKey of 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine?
The InChIKey is SMYGOTWVLVDZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-5-6-15-29-16-26-24(25(29)27-21-11-13-22(30-4)14-12-21)20-9-7-19(8-10-20)23-17(2)28-31-18(23)3/h5-16,27H,1H2,2-4H3.
What are the key properties of 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine?
3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine has a molecular weight of 412.49 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dienyl-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(4-methoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 123788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).