[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol

C25H31NO2 — CID 140523519

IUPAC[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
SMILESCC(C)(C)[C@H]1COC(C2CCCC2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H31NO2/c1-24(2,3)22-17-28-23(26-22)20-15-10-16-21(20)25(27,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22,27H,10,15-17H2,1-3H3/t20?,21?,22-/m1/s1
InChIKeyDJAKFMILNPDUKA-LZBANZJXSA-N
MW377.53 g/mol
LogP5.18
Rot. Bonds4

About [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol

[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol (PubChem CID 140523519) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol.

Molecular Properties

Compound Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
PubChem CID140523519
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
SMILESCC(C)(C)[C@H]1COC(C2CCCC2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H31NO2/c1-24(2,3)22-17-28-23(26-22)20-15-10-16-21(20)25(27,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22,27H,10,15-17H2,1-3H3/t20?,21?,22-/m1/s1
InChIKeyDJAKFMILNPDUKA-LZBANZJXSA-N
XLogP5.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
CID 101347334
(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole
CID 138968828
[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]-diphenylmethanol
CID 102152279
CID 134992078
CID 134992078
[(2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]piperidin-1-yl]-diphenylphosphane
CID 170898114
(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)
CID 154828634
(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58626939
diphenyl-[(1S)-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
CID 121477935
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
CID 139985785
[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol
CID 11484515
[(1S,3R,4R)-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-diphenylphosphane
CID 102182732
4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 70584316

Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol?
The IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol (CID 140523519) is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol.
What is the SMILES notation for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol?
The canonical SMILES for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol is CC(C)(C)[C@H]1COC(C2CCCC2C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol?
The InChIKey is DJAKFMILNPDUKA-LZBANZJXSA-N. The full InChI is InChI=1S/C25H31NO2/c1-24(2,3)22-17-28-23(26-22)20-15-10-16-21(20)25(27,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22,27H,10,15-17H2,1-3H3/t20?,21?,22-/m1/s1.
What are the key properties of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol?
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol has a molecular weight of 377.53 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol is sourced from PubChem (CID 140523519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).