(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole

C18H27NO2 — CID 102303168

IUPAC(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole
SMILESCO[C@H](c1ccccc1)[C@@H](C)CC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C18H27NO2/c1-13(17(20-5)14-9-7-6-8-10-14)11-16-19-15(12-21-16)18(2,3)4/h6-10,13,15,17H,11-12H2,1-5H3/t13-,15+,17-/m0/s1
InChIKeyXNSRGPHBSXACPM-LXZKKBNFSA-N
MW289.42 g/mol
LogP4.24
Rot. Bonds5

About (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102303168) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole
PubChem CID102303168
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole
SMILESCO[C@H](c1ccccc1)[C@@H](C)CC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C18H27NO2/c1-13(17(20-5)14-9-7-6-8-10-14)11-16-19-15(12-21-16)18(2,3)4/h6-10,13,15,17H,11-12H2,1-5H3/t13-,15+,17-/m0/s1
InChIKeyXNSRGPHBSXACPM-LXZKKBNFSA-N
XLogP4.24
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
1,3-Bis((r)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 24761720
Mls002667700
CID 244135
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
2-(4-Pentylphenyl)-4,5-dihydro-1,3-oxazole
CID 127032080
2-(4-Hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397
2-(4-Heptylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519398
2-(4-Octylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519399

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole (CID 102303168) is (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole is CO[C@H](c1ccccc1)[C@@H](C)CC1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XNSRGPHBSXACPM-LXZKKBNFSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(17(20-5)14-9-7-6-8-10-14)11-16-19-15(12-21-16)18(2,3)4/h6-10,13,15,17H,11-12H2,1-5H3/t13-,15+,17-/m0/s1.
What are the key properties of (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 289.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102303168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).