(1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine

C24H30N2O — CID 10784892

IUPAC(1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine
SMILESC=CC[C@H]1C=C(C2=NC(C)(C)CO2)c2ccccc2[C@@H]1N(CC=C)CC=C
InChIInChI=1S/C24H30N2O/c1-6-11-18-16-21(23-25-24(4,5)17-27-23)19-12-9-10-13-20(19)22(18)26(14-7-2)15-8-3/h6-10,12-13,16,18,22H,1-3,11,14-15,17H2,4-5H3/t18-,22+/m0/s1
InChIKeyKNJOZECFNMPYFD-PGRDOPGGSA-N
MW362.52 g/mol
LogP5.20
Rot. Bonds8

About (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine

(1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine (PubChem CID 10784892) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine
PubChem CID10784892
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name(1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine
SMILESC=CC[C@H]1C=C(C2=NC(C)(C)CO2)c2ccccc2[C@@H]1N(CC=C)CC=C
InChIInChI=1S/C24H30N2O/c1-6-11-18-16-21(23-25-24(4,5)17-27-23)19-12-9-10-13-20(19)22(18)26(14-7-2)15-8-3/h6-10,12-13,16,18,22H,1-3,11,14-15,17H2,4-5H3/t18-,22+/m0/s1
InChIKeyKNJOZECFNMPYFD-PGRDOPGGSA-N
XLogP5.20
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine 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-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 15880000
(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-(3-methylbut-2-enyl)-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine
CID 15399450
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 15853168
2-[(5S,6R)-6-butyl-5-prop-2-enylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 14938253
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14197394
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol
CID 142068368

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine?
The IUPAC name of (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine (CID 10784892) is (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine.
What is the SMILES notation for (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine?
The canonical SMILES for (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine is C=CC[C@H]1C=C(C2=NC(C)(C)CO2)c2ccccc2[C@@H]1N(CC=C)CC=C.
What is the InChIKey of (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine?
The InChIKey is KNJOZECFNMPYFD-PGRDOPGGSA-N. The full InChI is InChI=1S/C24H30N2O/c1-6-11-18-16-21(23-25-24(4,5)17-27-23)19-12-9-10-13-20(19)22(18)26(14-7-2)15-8-3/h6-10,12-13,16,18,22H,1-3,11,14-15,17H2,4-5H3/t18-,22+/m0/s1.
What are the key properties of (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine?
(1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine has a molecular weight of 362.52 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine is sourced from PubChem (CID 10784892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).