2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide

C12H21N5O2 — CID 106964518

IUPAC2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5O2/c1-8(2)5-14-10(18)6-15-12-17-16-11(19-12)7-13-9-3-4-9/h8-9,13H,3-7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyLBPNNSPCKXYRMN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.51
Rot. Bonds8

About 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide

2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 106964518) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
PubChem CID106964518
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5O2/c1-8(2)5-14-10(18)6-15-12-17-16-11(19-12)7-13-9-3-4-9/h8-9,13H,3-7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyLBPNNSPCKXYRMN-UHFFFAOYSA-N
XLogP0.51
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide (CID 106964518) is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1nnc(CNC2CC2)o1.
What is the InChIKey of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is LBPNNSPCKXYRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)5-14-10(18)6-15-12-17-16-11(19-12)7-13-9-3-4-9/h8-9,13H,3-7H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide?
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106964518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).