3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole

C17H20N4OS — CID 7602102

IUPAC3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-n2c(C)cc(-c3csc(N4CCCC4)n3)c2C)no1
InChIInChI=1S/C17H20N4OS/c1-11-8-14(13(3)21(11)16-9-12(2)22-19-16)15-10-23-17(18-15)20-6-4-5-7-20/h8-10H,4-7H2,1-3H3
InChIKeySBOMYIUKULZJNP-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.11
Rot. Bonds3

About 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole

3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole (PubChem CID 7602102) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
PubChem CID7602102
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-n2c(C)cc(-c3csc(N4CCCC4)n3)c2C)no1
InChIInChI=1S/C17H20N4OS/c1-11-8-14(13(3)21(11)16-9-12(2)22-19-16)15-10-23-17(18-15)20-6-4-5-7-20/h8-10H,4-7H2,1-3H3
InChIKeySBOMYIUKULZJNP-UHFFFAOYSA-N
XLogP4.11
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole (CID 7602102) is 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole is Cc1cc(-n2c(C)cc(-c3csc(N4CCCC4)n3)c2C)no1.
What is the InChIKey of 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole?
The InChIKey is SBOMYIUKULZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-8-14(13(3)21(11)16-9-12(2)22-19-16)15-10-23-17(18-15)20-6-4-5-7-20/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole?
3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole has a molecular weight of 328.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 7602102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).