cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol

C17H21NO3 — CID 59094658

IUPACcis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
SMILESCc1ccc(-c2nc(CO[C@H]3CCC[C@@H](O)C3)co2)cc1
InChIInChI=1S/C17H21NO3/c1-12-5-7-13(8-6-12)17-18-14(11-21-17)10-20-16-4-2-3-15(19)9-16/h5-8,11,15-16,19H,2-4,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyRGRYDOHKEIXCRO-CVEARBPZSA-N
MW287.36 g/mol
LogP3.47
Rot. Bonds4

About cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol

cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol (PubChem CID 59094658) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
PubChem CID59094658
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namecis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
SMILESCc1ccc(-c2nc(CO[C@H]3CCC[C@@H](O)C3)co2)cc1
InChIInChI=1S/C17H21NO3/c1-12-5-7-13(8-6-12)17-18-14(11-21-17)10-20-16-4-2-3-15(19)9-16/h5-8,11,15-16,19H,2-4,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyRGRYDOHKEIXCRO-CVEARBPZSA-N
XLogP3.47
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol (CID 59094658) is cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol is Cc1ccc(-c2nc(CO[C@H]3CCC[C@@H](O)C3)co2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The InChIKey is RGRYDOHKEIXCRO-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-5-7-13(8-6-12)17-18-14(11-21-17)10-20-16-4-2-3-15(19)9-16/h5-8,11,15-16,19H,2-4,9-10H2,1H3/t15-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol is sourced from PubChem (CID 59094658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).