N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide

C23H22N4O2S — CID 25454031

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1nc(CNC(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)cs1
InChIInChI=1S/C23H22N4O2S/c1-16-25-20(15-30-16)14-24-21(28)11-12-22-26-27-23(29-22)13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyZFBMVXRUPVHFQT-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.34
Rot. Bonds8

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 25454031) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID25454031
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1nc(CNC(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)cs1
InChIInChI=1S/C23H22N4O2S/c1-16-25-20(15-30-16)14-24-21(28)11-12-22-26-27-23(29-22)13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyZFBMVXRUPVHFQT-UHFFFAOYSA-N
XLogP4.34
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25282570
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 28953543
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
1-(azepan-1-yl)-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42119384
N-benzyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25293057
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 25454031) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is Cc1nc(CNC(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ZFBMVXRUPVHFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-25-20(15-30-16)14-24-21(28)11-12-22-26-27-23(29-22)13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,28).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 25454031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).