3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

C18H16F3N5O3S — CID 168974414

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(=O)Nc3nc(C)c(C(F)(F)F)s3)c2)no1
InChIInChI=1S/C18H16F3N5O3S/c1-9-14(18(19,20)21)30-17(23-9)25-13(27)6-7-22-16(28)12-5-3-4-11(8-12)15-24-10(2)29-26-15/h3-5,8H,6-7H2,1-2H3,(H,22,28)(H,23,25,27)
InChIKeyRVQVTSXIUUDCHD-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.59
Rot. Bonds6

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 168974414) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID168974414
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(=O)Nc3nc(C)c(C(F)(F)F)s3)c2)no1
InChIInChI=1S/C18H16F3N5O3S/c1-9-14(18(19,20)21)30-17(23-9)25-13(27)6-7-22-16(28)12-5-3-4-11(8-12)15-24-10(2)29-26-15/h3-5,8H,6-7H2,1-2H3,(H,22,28)(H,23,25,27)
InChIKeyRVQVTSXIUUDCHD-UHFFFAOYSA-N
XLogP3.59
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (CID 168974414) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is Cc1nc(-c2cccc(C(=O)NCCC(=O)Nc3nc(C)c(C(F)(F)F)s3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is RVQVTSXIUUDCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c1-9-14(18(19,20)21)30-17(23-9)25-13(27)6-7-22-16(28)12-5-3-4-11(8-12)15-24-10(2)29-26-15/h3-5,8H,6-7H2,1-2H3,(H,22,28)(H,23,25,27).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 439.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 168974414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).