4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide

C12H17N5O2 — CID 106391701

IUPAC4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCc1ncon1
InChIInChI=1S/C12H17N5O2/c1-2-5-17-7-9(13)6-10(17)12(18)14-4-3-11-15-8-19-16-11/h6-8H,2-5,13H2,1H3,(H,14,18)
InChIKeyKNZDEYDOVQVGJA-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.84
Rot. Bonds6

About 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 106391701) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID106391701
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCc1ncon1
InChIInChI=1S/C12H17N5O2/c1-2-5-17-7-9(13)6-10(17)12(18)14-4-3-11-15-8-19-16-11/h6-8H,2-5,13H2,1H3,(H,14,18)
InChIKeyKNZDEYDOVQVGJA-UHFFFAOYSA-N
XLogP0.84
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106413341
4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 63238946
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182830
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 106368803
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 79225029
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182827

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide (CID 106391701) is 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCCc1ncon1.
What is the InChIKey of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is KNZDEYDOVQVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-5-17-7-9(13)6-10(17)12(18)14-4-3-11-15-8-19-16-11/h6-8H,2-5,13H2,1H3,(H,14,18).
What are the key properties of 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106391701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).