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

C16H19N5O2S — CID 29184408

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cn(C)nc3C)o2)s1
InChIInChI=1S/C16H19N5O2S/c1-10-4-5-13(24-10)16-19-18-15(23-16)7-6-14(22)17-8-12-9-21(3)20-11(12)2/h4-5,9H,6-8H2,1-3H3,(H,17,22)
InChIKeyNKFJOMUWZQPMKZ-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.40
Rot. Bonds6

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 29184408) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID29184408
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cn(C)nc3C)o2)s1
InChIInChI=1S/C16H19N5O2S/c1-10-4-5-13(24-10)16-19-18-15(23-16)7-6-14(22)17-8-12-9-21(3)20-11(12)2/h4-5,9H,6-8H2,1-3H3,(H,17,22)
InChIKeyNKFJOMUWZQPMKZ-UHFFFAOYSA-N
XLogP2.40
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 29184408) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCc3cn(C)nc3C)o2)s1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is NKFJOMUWZQPMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-4-5-13(24-10)16-19-18-15(23-16)7-6-14(22)17-8-12-9-21(3)20-11(12)2/h4-5,9H,6-8H2,1-3H3,(H,17,22).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 345.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 29184408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).