N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

C14H17N5OS — CID 86790686

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nn(C)cc1CNc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17N5OS/c1-9(2)12-10(8-19(3)18-12)7-15-14-17-16-13(20-14)11-5-4-6-21-11/h4-6,8-9H,7H2,1-3H3,(H,15,17)
InChIKeyMIEVFPDAVJRSSF-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.27
Rot. Bonds5

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 86790686) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID86790686
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nn(C)cc1CNc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17N5OS/c1-9(2)12-10(8-19(3)18-12)7-15-14-17-16-13(20-14)11-5-4-6-21-11/h4-6,8-9H,7H2,1-3H3,(H,15,17)
InChIKeyMIEVFPDAVJRSSF-UHFFFAOYSA-N
XLogP3.27
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 86790686) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is CC(C)c1nn(C)cc1CNc1nnc(-c2cccs2)o1.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is MIEVFPDAVJRSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9(2)12-10(8-19(3)18-12)7-15-14-17-16-13(20-14)11-5-4-6-21-11/h4-6,8-9H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 303.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).