(4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

C19H18ClNO2 — CID 10678139

IUPAC(4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(/C(Cl)=C/c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H18ClNO2/c1-22-13-17-18(15-10-6-3-7-11-15)23-19(21-17)16(20)12-14-8-4-2-5-9-14/h2-12,17-18H,13H2,1H3/b16-12-/t17-,18-/m0/s1
InChIKeyCHRFAULHWCRCLL-KZLRIVJYSA-N
MW327.81 g/mol
LogP4.45
Rot. Bonds5

About (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

(4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10678139) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10678139
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name(4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(/C(Cl)=C/c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H18ClNO2/c1-22-13-17-18(15-10-6-3-7-11-15)23-19(21-17)16(20)12-14-8-4-2-5-9-14/h2-12,17-18H,13H2,1H3/b16-12-/t17-,18-/m0/s1
InChIKeyCHRFAULHWCRCLL-KZLRIVJYSA-N
XLogP4.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (CID 10678139) is (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is COC[C@@H]1N=C(/C(Cl)=C/c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CHRFAULHWCRCLL-KZLRIVJYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-22-13-17-18(15-10-6-3-7-11-15)23-19(21-17)16(20)12-14-8-4-2-5-9-14/h2-12,17-18H,13H2,1H3/b16-12-/t17-,18-/m0/s1.
What are the key properties of (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 327.81 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-[(Z)-1-chloro-2-phenylethenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10678139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).