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

C25H23N5O3S — CID 168974642

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESC=C(c1ccccc1)c1sc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C
InChIInChI=1S/C25H23N5O3S/c1-15(18-8-5-4-6-9-18)22-16(2)27-25(34-22)29-21(31)12-13-26-24(32)20-11-7-10-19(14-20)23-28-17(3)33-30-23/h4-11,14H,1,12-13H2,2-3H3,(H,26,32)(H,27,29,31)
InChIKeyNBUHVBHBUFQVTP-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.63
Rot. Bonds8

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 168974642) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-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-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID168974642
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESC=C(c1ccccc1)c1sc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C
InChIInChI=1S/C25H23N5O3S/c1-15(18-8-5-4-6-9-18)22-16(2)27-25(34-22)29-21(31)12-13-26-24(32)20-11-7-10-19(14-20)23-28-17(3)33-30-23/h4-11,14H,1,12-13H2,2-3H3,(H,26,32)(H,27,29,31)
InChIKeyNBUHVBHBUFQVTP-UHFFFAOYSA-N
XLogP4.63
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methylpropan-1-amine;propyl 4-methyl-2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-1,3-thiazole-5-carboxylate
CID 168974367
azane;N-[3-[[5-[(E)-3-methoxyprop-1-enyl]-4-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 175917675
ethyl 2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 168974399
N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171560049
methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate
CID 168974513
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642
tert-butyl 2-[[(3R)-4-cyano-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]butanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 175917656
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273
N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 155918840
ethyl 2-(3-benzamidopropanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566727
ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid
CID 174051162

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-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-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (CID 168974642) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-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-(1-phenylethenyl)-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-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is C=C(c1ccccc1)c1sc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nc1C.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is NBUHVBHBUFQVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-15(18-8-5-4-6-9-18)22-16(2)27-25(34-22)29-21(31)12-13-26-24(32)20-11-7-10-19(14-20)23-28-17(3)33-30-23/h4-11,14H,1,12-13H2,2-3H3,(H,26,32)(H,27,29,31).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 473.56 g/mol, XLogP of 4.63, 8 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-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 168974642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).