2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol

C16H23NO2 — CID 10879871

IUPAC2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13-10-19-14(17-13)11-8-6-7-9-12(11)16(4,5)18/h6-9,13,18H,10H2,1-5H3/t13-/m1/s1
InChIKeyHUCNMPIDGNKWPV-CYBMUJFWSA-N
MW261.36 g/mol
LogP3.11
Rot. Bonds2

About 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol

2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol (PubChem CID 10879871) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol
PubChem CID10879871
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13-10-19-14(17-13)11-8-6-7-9-12(11)16(4,5)18/h6-9,13,18H,10H2,1-5H3/t13-/m1/s1
InChIKeyHUCNMPIDGNKWPV-CYBMUJFWSA-N
XLogP3.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol (CID 10879871) is 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol?
The InChIKey is HUCNMPIDGNKWPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)13-10-19-14(17-13)11-8-6-7-9-12(11)16(4,5)18/h6-9,13,18H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol?
2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 10879871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).