(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole

C17H19NO — CID 146025915

IUPAC(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C17H19NO/c1-17(2,3)15-11-19-16(18-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3/t15-/m0/s1
InChIKeyTUDDRCTWVWDTFC-HNNXBMFYSA-N
MW253.35 g/mol
LogP4.03
Rot. Bonds1

About (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole

(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole (PubChem CID 146025915) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
PubChem CID146025915
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C17H19NO/c1-17(2,3)15-11-19-16(18-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3/t15-/m0/s1
InChIKeyTUDDRCTWVWDTFC-HNNXBMFYSA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole
CID 11092372
(4S)-2-(1-bromonaphthalen-2-yl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 10404485
(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
(4S)-4-tert-butyl-2-isoquinolin-1-yl-4,5-dihydro-1,3-oxazole
CID 71474923
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
CID 10612982
[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-2-[2-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 102359560
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 25010932
2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 67144523

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole (CID 146025915) is (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@@H]1COC(c2cccc3ccccc23)=N1.
What is the InChIKey of (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is TUDDRCTWVWDTFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)15-11-19-16(18-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 253.35 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146025915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).