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

C12H23N5O2 — CID 106959992

IUPAC2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nnc(C(C)NCC)o1
InChIInChI=1S/C12H23N5O2/c1-5-7-14-10(18)8(3)15-12-17-16-11(19-12)9(4)13-6-2/h8-9,13H,5-7H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyUMZSZJVQHVRLIO-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.07
Rot. Bonds8

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

2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide (PubChem CID 106959992) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
PubChem CID106959992
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nnc(C(C)NCC)o1
InChIInChI=1S/C12H23N5O2/c1-5-7-14-10(18)8(3)15-12-17-16-11(19-12)9(4)13-6-2/h8-9,13H,5-7H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyUMZSZJVQHVRLIO-UHFFFAOYSA-N
XLogP1.07
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106959375
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea
CID 106964060
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106958390
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106964003
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959991
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
N,N-diethyl-2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964475
3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098977
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760
N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960756
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide (CID 106959992) is 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nnc(C(C)NCC)o1.
What is the InChIKey of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
The InChIKey is UMZSZJVQHVRLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-7-14-10(18)8(3)15-12-17-16-11(19-12)9(4)13-6-2/h8-9,13H,5-7H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide?
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 106959992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).