2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole

C59H58N4O2 — CID 158231798

IUPAC2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
SMILESC/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.CC=C(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C18H15NO.C15H14.C13H16N2O.C13H13N/c1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-13H,1H3;2-12H,1H3;5-8H,1-4H3;2-11H,1H3/b6-2+;;;
InChIKeyGELROJHVASYVFM-SDKRLAIISA-N
MW855.14 g/mol
LogP15.98
Rot. Bonds8

About 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole

2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole (PubChem CID 158231798) has the molecular formula C59H58N4O2 and a molecular weight of 855.14 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
PubChem CID158231798
Molecular FormulaC59H58N4O2
Molecular Weight855.14 g/mol
Exact Mass854.46
IUPAC Name2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
SMILESC/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.CC=C(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C18H15NO.C15H14.C13H16N2O.C13H13N/c1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-13H,1H3;2-12H,1H3;5-8H,1-4H3;2-11H,1H3/b6-2+;;;
InChIKeyGELROJHVASYVFM-SDKRLAIISA-N
XLogP15.98
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
CID 157157668
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
4-(N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino)benzoic acid
CID 101098774
2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 22310206
2-[4-[4-(4-bromophenyl)buta-1,3-dienyl]phenyl]-5-phenyl-1,3-oxazole
CID 3988462
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
methyl 4-[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]benzoate
CID 164863176
2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene
CID 162016321
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline
CID 19580278

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole (CID 158231798) is 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole is C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.CC=C(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?
The InChIKey is GELROJHVASYVFM-SDKRLAIISA-N. The full InChI is InChI=1S/C18H15NO.C15H14.C13H16N2O.C13H13N/c1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-13H,1H3;2-12H,1H3;5-8H,1-4H3;2-11H,1H3/b6-2+;;;.
What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?
2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole has a molecular weight of 855.14 g/mol, XLogP of 15.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-phenylprop-1-enylbenzene;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 158231798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).