(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole

C36H40N2O2 — CID 10578195

IUPAC(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2c1-c1c(C)ccc2cccc(C3=N[C@@H](C(C)(C)C)CO3)c12
InChIInChI=1S/C36H40N2O2/c1-21-15-17-23-11-9-13-25(33-37-27(19-39-33)35(3,4)5)31(23)29(21)30-22(2)16-18-24-12-10-14-26(32(24)30)34-38-28(20-40-34)36(6,7)8/h9-18,27-28H,19-20H2,1-8H3/t27-,28-/m1/s1
InChIKeyAKUOHJMWOMPXRF-VSGBNLITSA-N
MW532.73 g/mol
LogP8.66
Rot. Bonds3

About (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 10578195) has the molecular formula C36H40N2O2 and a molecular weight of 532.73 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole
PubChem CID10578195
Molecular FormulaC36H40N2O2
Molecular Weight532.73 g/mol
Exact Mass532.31
IUPAC Name(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2c1-c1c(C)ccc2cccc(C3=N[C@@H](C(C)(C)C)CO3)c12
InChIInChI=1S/C36H40N2O2/c1-21-15-17-23-11-9-13-25(33-37-27(19-39-33)35(3,4)5)31(23)29(21)30-22(2)16-18-24-12-10-14-26(32(24)30)34-38-28(20-40-34)36(6,7)8/h9-18,27-28H,19-20H2,1-8H3/t27-,28-/m1/s1
InChIKeyAKUOHJMWOMPXRF-VSGBNLITSA-N
XLogP8.66
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-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

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
4-tert-butyl-2-naphthalen-2-yl-4H-1,3-oxazol-5-one
CID 42628248
2-(2-Naphthyl)-2-oxazoline
CID 12776826
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
4-Isopropyl-2-tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-4,5-dihydro-1,3-oxazole
CID 7314597
1,8-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)anthracene
CID 11350119
(S)-4-(tert-butyl)-2-((S)-2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl)-4,5-dihydrooxazole
CID 10907863
(4S)-2-((R)-2'-(Diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl)-4-isopropyl-4,5-dihydrooxazole
CID 10918650
(4S)-4-naphthalen-2-yl-2-[2-[(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 11144576
2-[1-[2-(4,5-Dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 15315481
Anthracenyl-oxazoline
CID 22999524
2,2'-(3,3'-Dimethyl-[1,1'-biphenyl]-2,2'-diyl)bis(4,5-dihydrooxazole)
CID 44248381

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole (CID 10578195) is (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole is Cc1ccc2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2c1-c1c(C)ccc2cccc(C3=N[C@@H](C(C)(C)C)CO3)c12.
What is the InChIKey of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is AKUOHJMWOMPXRF-VSGBNLITSA-N. The full InChI is InChI=1S/C36H40N2O2/c1-21-15-17-23-11-9-13-25(33-37-27(19-39-33)35(3,4)5)31(23)29(21)30-22(2)16-18-24-12-10-14-26(32(24)30)34-38-28(20-40-34)36(6,7)8/h9-18,27-28H,19-20H2,1-8H3/t27-,28-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 532.73 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-1-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10578195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).