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

C18H18N4O3S — CID 92598798

IUPAC(3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@@H]2c2nnc(-c3scnc3C)o2)c1
InChIInChI=1S/C18H18N4O3S/c1-11-15(26-10-19-11)17-21-20-16(25-17)14-7-4-8-22(14)18(23)12-5-3-6-13(9-12)24-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3/t14-/m1/s1
InChIKeyZSLRAHOUAKLKGA-CQSZACIVSA-N
MW370.43 g/mol
LogP3.49
Rot. Bonds4

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

(3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 92598798) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID92598798
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name(3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@@H]2c2nnc(-c3scnc3C)o2)c1
InChIInChI=1S/C18H18N4O3S/c1-11-15(26-10-19-11)17-21-20-16(25-17)14-7-4-8-22(14)18(23)12-5-3-6-13(9-12)24-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3/t14-/m1/s1
InChIKeyZSLRAHOUAKLKGA-CQSZACIVSA-N
XLogP3.49
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 92598798) is (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is COc1cccc(C(=O)N2CCC[C@@H]2c2nnc(-c3scnc3C)o2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZSLRAHOUAKLKGA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-15(26-10-19-11)17-21-20-16(25-17)14-7-4-8-22(14)18(23)12-5-3-6-13(9-12)24-2/h3,5-6,9-10,14H,4,7-8H2,1-2H3/t14-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
(3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 370.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92598798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).