N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide

C13H25N5O2 — CID 106964132

IUPACN-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCC(C)CNC(=O)C(C)Nc1nnc(CNC(C)C)o1
InChIInChI=1S/C13H25N5O2/c1-8(2)6-15-12(19)10(5)16-13-18-17-11(20-13)7-14-9(3)4/h8-10,14H,6-7H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyHFEJVOCFKZASDC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.14
Rot. Bonds8

About N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide

N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide (PubChem CID 106964132) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
PubChem CID106964132
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCC(C)CNC(=O)C(C)Nc1nnc(CNC(C)C)o1
InChIInChI=1S/C13H25N5O2/c1-8(2)6-15-12(19)10(5)16-13-18-17-11(20-13)7-14-9(3)4/h8-10,14H,6-7H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyHFEJVOCFKZASDC-UHFFFAOYSA-N
XLogP1.14
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide (CID 106964132) is N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide is CC(C)CNC(=O)C(C)Nc1nnc(CNC(C)C)o1.
What is the InChIKey of N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
The InChIKey is HFEJVOCFKZASDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-8(2)6-15-12(19)10(5)16-13-18-17-11(20-13)7-14-9(3)4/h8-10,14H,6-7H2,1-5H3,(H,15,19)(H,16,18).
What are the key properties of N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide?
N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide has a molecular weight of 283.38 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide is sourced from PubChem (CID 106964132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).