(4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole

C21H19NO2 — CID 13239095

IUPAC(4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(c2cccc3ccccc23)O[C@H]1c1ccccc1
InChIInChI=1S/C21H19NO2/c1-23-14-19-20(16-9-3-2-4-10-16)24-21(22-19)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19-20H,14H2,1H3/t19-,20-/m0/s1
InChIKeyRKRJDNSTJHRSPO-PMACEKPBSA-N
MW317.39 g/mol
LogP4.37
Rot. Bonds4

About (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole

(4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 13239095) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID13239095
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(c2cccc3ccccc23)O[C@H]1c1ccccc1
InChIInChI=1S/C21H19NO2/c1-23-14-19-20(16-9-3-2-4-10-16)24-21(22-19)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19-20H,14H2,1H3/t19-,20-/m0/s1
InChIKeyRKRJDNSTJHRSPO-PMACEKPBSA-N
XLogP4.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-2-yl-ethylamine
CID 19003143
(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
CID 44346550
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-1-yl-ethylamine
CID 19003165
(3S,4R)-3-fluoro-2'-naphthalen-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665170
2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 293474
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
4-(3,5-Bis(trifluoromethyl)phenyl)-2-(naphthalen-1-yl)-4,5-dihydrooxazole
CID 146025891

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 13239095) is (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole is COC[C@@H]1N=C(c2cccc3ccccc23)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RKRJDNSTJHRSPO-PMACEKPBSA-N. The full InChI is InChI=1S/C21H19NO2/c1-23-14-19-20(16-9-3-2-4-10-16)24-21(22-19)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19-20H,14H2,1H3/t19-,20-/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 317.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethyl)-2-naphthalen-1-yl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13239095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).