tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate

C19H27NO3 — CID 166481987

IUPACtert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate
SMILESCC(C)(CC(=O)OC(C)(C)C)CC1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H27NO3/c1-18(2,3)23-17(21)12-19(4,5)11-16-20-15(13-22-16)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyLENQTZZYSLTETN-HNNXBMFYSA-N
MW317.43 g/mol
LogP4.30
Rot. Bonds5

About tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate

tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate (PubChem CID 166481987) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate.

Molecular Properties

Compound Nametert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate
PubChem CID166481987
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nametert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate
SMILESCC(C)(CC(=O)OC(C)(C)C)CC1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C19H27NO3/c1-18(2,3)23-17(21)12-19(4,5)11-16-20-15(13-22-16)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyLENQTZZYSLTETN-HNNXBMFYSA-N
XLogP4.30
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 170598433
CID 170598433
tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
CID 10786034
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 127262963
N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
CID 129266025
(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 139254561
2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol
CID 101488275
tert-butyl 2-[(2S,4S)-4-phenyl-1,3-dioxolan-2-yl]acetate
CID 101084646
4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 138114926
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674
(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 11155717
3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 58508366
chlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 24769983

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate?
The IUPAC name of tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate (CID 166481987) is tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate.
What is the SMILES notation for tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate?
The canonical SMILES for tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate is CC(C)(CC(=O)OC(C)(C)C)CC1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate?
The InChIKey is LENQTZZYSLTETN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-18(2,3)23-17(21)12-19(4,5)11-16-20-15(13-22-16)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1.
What are the key properties of tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate?
tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate has a molecular weight of 317.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate is sourced from PubChem (CID 166481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).