2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide

C13H25N5O2 — CID 106959991

IUPAC2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nnc(CNCC(C)C)o1
InChIInChI=1S/C13H25N5O2/c1-5-6-15-12(19)10(4)16-13-18-17-11(20-13)8-14-7-9(2)3/h9-10,14H,5-8H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyHZNDWECRIMNJSA-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.14
Rot. Bonds9

About 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide

2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide (PubChem CID 106959991) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
PubChem CID106959991
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nnc(CNCC(C)C)o1
InChIInChI=1S/C13H25N5O2/c1-5-6-15-12(19)10(4)16-13-18-17-11(20-13)8-14-7-9(2)3/h9-10,14H,5-8H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyHZNDWECRIMNJSA-UHFFFAOYSA-N
XLogP1.14
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
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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Related Compounds

N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964132
N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964253
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964121
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide
CID 106958401
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
N-cyclopropyl-2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964200
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959992
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959871
N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966384
N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962202
N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106963591
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide (CID 106959991) is 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nnc(CNCC(C)C)o1.
What is the InChIKey of 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
The InChIKey is HZNDWECRIMNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-5-6-15-12(19)10(4)16-13-18-17-11(20-13)8-14-7-9(2)3/h9-10,14H,5-8H2,1-4H3,(H,15,19)(H,16,18).
What are the key properties of 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide has a molecular weight of 283.38 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 106959991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).