5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole

C19H15N3O2 — CID 100691260

IUPAC5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc2cc([C@@H]3C[C@H]3c3nc(Cc4ccon4)no3)ccc2c1
InChIInChI=1S/C19H15N3O2/c1-2-4-13-9-14(6-5-12(13)3-1)16-11-17(16)19-20-18(22-24-19)10-15-7-8-23-21-15/h1-9,16-17H,10-11H2/t16-,17+/m0/s1
InChIKeyXRLVZVFBRFYTPU-DLBZAZTESA-N
MW317.35 g/mol
LogP4.07
Rot. Bonds4

About 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole

5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 100691260) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID100691260
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc2cc([C@@H]3C[C@H]3c3nc(Cc4ccon4)no3)ccc2c1
InChIInChI=1S/C19H15N3O2/c1-2-4-13-9-14(6-5-12(13)3-1)16-11-17(16)19-20-18(22-24-19)10-15-7-8-23-21-15/h1-9,16-17H,10-11H2/t16-,17+/m0/s1
InChIKeyXRLVZVFBRFYTPU-DLBZAZTESA-N
XLogP4.07
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-methylcyclopropyl)-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole
CID 119033967
1-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867748
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865
5-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]-3-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole
CID 167853945
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole
CID 97072785
5-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-[[1-(methoxymethyl)cyclopropyl]methyl]-1,2,4-oxadiazole
CID 124741017
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523633
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866577

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole (CID 100691260) is 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole is c1ccc2cc([C@@H]3C[C@H]3c3nc(Cc4ccon4)no3)ccc2c1.
What is the InChIKey of 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is XRLVZVFBRFYTPU-DLBZAZTESA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-4-13-9-14(6-5-12(13)3-1)16-11-17(16)19-20-18(22-24-19)10-15-7-8-23-21-15/h1-9,16-17H,10-11H2/t16-,17+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole?
5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 100691260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).