(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

C26H34N2O — CID 15399450

IUPAC(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
SMILESC=CCN(CC=C)[C@@H]1C=C[C@](CC=C(C)C)(C2=NC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C26H34N2O/c1-7-17-28(18-8-2)23-14-16-26(15-13-20(3)4,22-12-10-9-11-21(22)23)24-27-25(5,6)19-29-24/h7-14,16,23H,1-2,15,17-19H2,3-6H3/t23-,26+/m1/s1
InChIKeyWAEYESYIBFOENC-BVAGGSTKSA-N
MW390.57 g/mol
LogP5.77
Rot. Bonds8

About (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

(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 (PubChem CID 15399450) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID15399450
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name(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
SMILESC=CCN(CC=C)[C@@H]1C=C[C@](CC=C(C)C)(C2=NC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C26H34N2O/c1-7-17-28(18-8-2)23-14-16-26(15-13-20(3)4,22-12-10-9-11-21(22)23)24-27-25(5,6)19-29-24/h7-14,16,23H,1-2,15,17-19H2,3-6H3/t23-,26+/m1/s1
InChIKeyWAEYESYIBFOENC-BVAGGSTKSA-N
XLogP5.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-benzyl-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diethyl-2,6-dihydropyridin-1-ium-2-yl]propan-1-amine
CID 54523511
(1S)-8,8-dimethyl-10-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,9(12)-tetraene
CID 68974170
2-[[1-(3-Cyclohexa-1,5-dien-1-yl-3-phenylpropyl)piperidin-4-yl]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 71035333
2-Tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 135139388
(4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 135139404
(4S)-2-tert-butyl-4-[2-[6-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]cyclohexa-1,3-dien-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 143066051
(4S)-2-tert-butyl-4-[2-[2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 145785846
(4S)-2-tert-butyl-4-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 145785853
(4S)-3-methyl-2-[(1S)-1-methyl-4H-naphthalen-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazol-3-ium
CID 10409825
(4S)-3-methyl-4-propan-2-yl-2-[(1S)-1-propyl-4H-naphthalen-1-yl]-4,5-dihydro-1,3-oxazol-3-ium
CID 10478794
(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyl-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine
CID 10497117
(1R,4S)-N,N,4-tribenzyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1H-naphthalen-1-amine
CID 10529765

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=CCN(CC=C)[C@@H]1C=C[C@](CC=C(C)C)(C2=NC(C)(C)CO2)c2ccccc21.
What is the InChIKey of (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?
The InChIKey is WAEYESYIBFOENC-BVAGGSTKSA-N. The full InChI is InChI=1S/C26H34N2O/c1-7-17-28(18-8-2)23-14-16-26(15-13-20(3)4,22-12-10-9-11-21(22)23)24-27-25(5,6)19-29-24/h7-14,16,23H,1-2,15,17-19H2,3-6H3/t23-,26+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 390.57 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 15399450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).