N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline

C21H24N2O — CID 139985785

IUPACN-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
SMILESCC(C)(C)C1COC(C=C(Nc2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H24N2O/c1-21(2,3)19-15-24-20(23-19)14-18(16-10-6-4-7-11-16)22-17-12-8-5-9-13-17/h4-14,19,22H,15H2,1-3H3
InChIKeyKMLJGJAQWLRPKC-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.98
Rot. Bonds4

About N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline

N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline (PubChem CID 139985785) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
PubChem CID139985785
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
SMILESCC(C)(C)C1COC(C=C(Nc2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H24N2O/c1-21(2,3)19-15-24-20(23-19)14-18(16-10-6-4-7-11-16)22-17-12-8-5-9-13-17/h4-14,19,22H,15H2,1-3H3
InChIKeyKMLJGJAQWLRPKC-UHFFFAOYSA-N
XLogP4.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline 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

N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]-2,6-di(propan-2-yl)aniline
CID 139985852
2,3,4,5,6-pentafluoro-N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)ethenyl]aniline
CID 139985783
(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58626939
N-tert-butyl-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylmethanimine;dibromonickel
CID 140820888
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
CID 140523519
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
CID 176507761
[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol
CID 11484515
(4S)-2-[2-[2,6-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 23727304
(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 101039596
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
CID 154730338
1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-N-(2,6-dibromophenyl)-1-phenylmethanimine;dibromonickel
CID 140820924

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
The IUPAC name of N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline (CID 139985785) is N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline.
What is the SMILES notation for N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
The canonical SMILES for N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline is CC(C)(C)C1COC(C=C(Nc2ccccc2)c2ccccc2)=N1.
What is the InChIKey of N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
The InChIKey is KMLJGJAQWLRPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-21(2,3)19-15-24-20(23-19)14-18(16-10-6-4-7-11-16)22-17-12-8-5-9-13-17/h4-14,19,22H,15H2,1-3H3.
What are the key properties of N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline?
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline has a molecular weight of 320.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline is sourced from PubChem (CID 139985785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).