(4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol

C19H18N2O3 — CID 102016058

IUPAC(4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol
SMILESC[C@@]1([C@H]2ON=C(c3ccccc3)[C@@H]2O)CC(c2ccccc2)=NO1
InChIInChI=1S/C19H18N2O3/c1-19(12-15(20-24-19)13-8-4-2-5-9-13)18-17(22)16(21-23-18)14-10-6-3-7-11-14/h2-11,17-18,22H,12H2,1H3/t17-,18-,19-/m0/s1
InChIKeyMKCADWKNNANTCT-FHWLQOOXSA-N
MW322.36 g/mol
LogP2.73
Rot. Bonds3

About (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol

(4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol (PubChem CID 102016058) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol
PubChem CID102016058
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol
SMILESC[C@@]1([C@H]2ON=C(c3ccccc3)[C@@H]2O)CC(c2ccccc2)=NO1
InChIInChI=1S/C19H18N2O3/c1-19(12-15(20-24-19)13-8-4-2-5-9-13)18-17(22)16(21-23-18)14-10-6-3-7-11-14/h2-11,17-18,22H,12H2,1H3/t17-,18-,19-/m0/s1
InChIKeyMKCADWKNNANTCT-FHWLQOOXSA-N
XLogP2.73
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol?
The IUPAC name of (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol (CID 102016058) is (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol.
What is the SMILES notation for (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol?
The canonical SMILES for (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol is C[C@@]1([C@H]2ON=C(c3ccccc3)[C@@H]2O)CC(c2ccccc2)=NO1.
What is the InChIKey of (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol?
The InChIKey is MKCADWKNNANTCT-FHWLQOOXSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-19(12-15(20-24-19)13-8-4-2-5-9-13)18-17(22)16(21-23-18)14-10-6-3-7-11-14/h2-11,17-18,22H,12H2,1H3/t17-,18-,19-/m0/s1.
What are the key properties of (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol?
(4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol has a molecular weight of 322.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol is sourced from PubChem (CID 102016058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).