(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole

C19H21NO — CID 71232307

IUPAC(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(c2ccccc2-c2ccccc2)=N1
InChIInChI=1S/C19H21NO/c1-19(2,3)17-13-21-18(20-17)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3/t17-/m1/s1
InChIKeyRHPZGZJXWIMECC-QGZVFWFLSA-N
MW279.38 g/mol
LogP4.55
Rot. Bonds2

About (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 71232307) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID71232307
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(c2ccccc2-c2ccccc2)=N1
InChIInChI=1S/C19H21NO/c1-19(2,3)17-13-21-18(20-17)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3/t17-/m1/s1
InChIKeyRHPZGZJXWIMECC-QGZVFWFLSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 146025915
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
[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-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
CID 11296045
(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)-4-tert-butyl-2-[2-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 102359560
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]imino-methyl-oxo-phenyl-λ6-sulfane
CID 25047334
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551056
(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 101039596
(4S)-4-tert-butyl-2-(3-methoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
CID 10612982

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole (CID 71232307) is (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(c2ccccc2-c2ccccc2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RHPZGZJXWIMECC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)17-13-21-18(20-17)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3/t17-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71232307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).