5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H13N3OS — CID 75446068

IUPAC5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1csc(CNc2nnc(CC3CC3)o2)c1
InChIInChI=1S/C11H13N3OS/c1-2-9(16-5-1)7-12-11-14-13-10(15-11)6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,12,14)
InChIKeyDFOXDTYMPHKBKM-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.70
Rot. Bonds5

About 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 75446068) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID75446068
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1csc(CNc2nnc(CC3CC3)o2)c1
InChIInChI=1S/C11H13N3OS/c1-2-9(16-5-1)7-12-11-14-13-10(15-11)6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,12,14)
InChIKeyDFOXDTYMPHKBKM-UHFFFAOYSA-N
XLogP2.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 75446068) is 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is c1csc(CNc2nnc(CC3CC3)o2)c1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DFOXDTYMPHKBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-9(16-5-1)7-12-11-14-13-10(15-11)6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,12,14).
What are the key properties of 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75446068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).