(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C19H20N4O2S — CID 91905845

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(Cc3noc(-c4ccccc4)n3)C2)s1
InChIInChI=1S/C19H20N4O2S/c1-12-17(26-13(2)20-12)19(24)23-9-8-14(11-23)10-16-21-18(25-22-16)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3
InChIKeyAZRHTJPVNOIJDL-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.51
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 91905845) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID91905845
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(Cc3noc(-c4ccccc4)n3)C2)s1
InChIInChI=1S/C19H20N4O2S/c1-12-17(26-13(2)20-12)19(24)23-9-8-14(11-23)10-16-21-18(25-22-16)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3
InChIKeyAZRHTJPVNOIJDL-UHFFFAOYSA-N
XLogP3.51
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91915854
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119539054
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 91905843
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345291
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110270918
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845437
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 91905845) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(Cc3noc(-c4ccccc4)n3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is AZRHTJPVNOIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-17(26-13(2)20-12)19(24)23-9-8-14(11-23)10-16-21-18(25-22-16)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91905845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).