4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide

C11H15N5O2 — CID 114182801

IUPAC4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H15N5O2/c1-2-16-6-8(12)5-9(16)11(17)13-4-3-10-14-7-15-18-10/h5-7H,2-4,12H2,1H3,(H,13,17)
InChIKeySDUQUZCKRJCTBU-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.45
Rot. Bonds5

About 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 114182801) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
PubChem CID114182801
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H15N5O2/c1-2-16-6-8(12)5-9(16)11(17)13-4-3-10-14-7-15-18-10/h5-7H,2-4,12H2,1H3,(H,13,17)
InChIKeySDUQUZCKRJCTBU-UHFFFAOYSA-N
XLogP0.45
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106391502
4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide
CID 43642709
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106413341
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 61111186
4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106391489
4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 107843317

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide (CID 114182801) is 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCCc1ncno1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is SDUQUZCKRJCTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-16-6-8(12)5-9(16)11(17)13-4-3-10-14-7-15-18-10/h5-7H,2-4,12H2,1H3,(H,13,17).
What are the key properties of 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114182801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).