N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide

C26H20N2O2 — CID 59510264

IUPACN-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nc3c4ccc(C)cc4c4cc(C)ccc4c3o2)cc1
InChIInChI=1S/C26H20N2O2/c1-4-23(29)27-18-9-7-17(8-10-18)26-28-24-19-11-5-15(2)13-21(19)22-14-16(3)6-12-20(22)25(24)30-26/h4-14H,1H2,2-3H3,(H,27,29)
InChIKeyRYAIQAMKJINFIA-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.54
Rot. Bonds3

About N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide

N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide (PubChem CID 59510264) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide
PubChem CID59510264
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC NameN-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nc3c4ccc(C)cc4c4cc(C)ccc4c3o2)cc1
InChIInChI=1S/C26H20N2O2/c1-4-23(29)27-18-9-7-17(8-10-18)26-28-24-19-11-5-15(2)13-21(19)22-14-16(3)6-12-20(22)25(24)30-26/h4-14H,1H2,2-3H3,(H,27,29)
InChIKeyRYAIQAMKJINFIA-UHFFFAOYSA-N
XLogP6.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531011
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
3-(4-methylphenyl)-5-(prop-2-enoylamino)benzoic acid
CID 178084000
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
CID 1047427
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
CID 50835614
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 3673753
2,3,4,5,6-pentafluoro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3363557

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide (CID 59510264) is N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2nc3c4ccc(C)cc4c4cc(C)ccc4c3o2)cc1.
What is the InChIKey of N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is RYAIQAMKJINFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-4-23(29)27-18-9-7-17(8-10-18)26-28-24-19-11-5-15(2)13-21(19)22-14-16(3)6-12-20(22)25(24)30-26/h4-14H,1H2,2-3H3,(H,27,29).
What are the key properties of N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide?
N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 59510264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).