(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol

C17H18N4O3 — CID 111334084

IUPAC(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CC[C@@H](O)C2)o1
InChIInChI=1S/C17H18N4O3/c1-11-15(16(20-24-11)12-5-3-2-4-6-12)17-19-18-14(23-17)10-21-8-7-13(22)9-21/h2-6,13,22H,7-10H2,1H3/t13-/m1/s1
InChIKeyXAGOHTZIBDNSSV-CYBMUJFWSA-N
MW326.36 g/mol
LogP2.27
Rot. Bonds4

About (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 111334084) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
PubChem CID111334084
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CC[C@@H](O)C2)o1
InChIInChI=1S/C17H18N4O3/c1-11-15(16(20-24-11)12-5-3-2-4-6-12)17-19-18-14(23-17)10-21-8-7-13(22)9-21/h2-6,13,22H,7-10H2,1H3/t13-/m1/s1
InChIKeyXAGOHTZIBDNSSV-CYBMUJFWSA-N
XLogP2.27
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
CID 26519005
2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 11931900
2-[(4-ethoxypiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 55988343
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 134046419
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 128941234
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 86947225
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
2-[(2-ethylpiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 51223519
(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30871497
(2R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-2-carboxamide
CID 9292585
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 86973078

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (CID 111334084) is (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC[C@@H](O)C2)o1.
What is the InChIKey of (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is XAGOHTZIBDNSSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-15(16(20-24-11)12-5-3-2-4-6-12)17-19-18-14(23-17)10-21-8-7-13(22)9-21/h2-6,13,22H,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 326.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 111334084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).