4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

C13H19N5O2 — CID 106413314

IUPAC4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1noc(CCNC(=O)c2cc(N)cn2C(C)C)n1
InChIInChI=1S/C13H19N5O2/c1-8(2)18-7-10(14)6-11(18)13(19)15-5-4-12-16-9(3)17-20-12/h6-8H,4-5,14H2,1-3H3,(H,15,19)
InChIKeyJJPVIIZRLSRTHB-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 106413314) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID106413314
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1noc(CCNC(=O)c2cc(N)cn2C(C)C)n1
InChIInChI=1S/C13H19N5O2/c1-8(2)18-7-10(14)6-11(18)13(19)15-5-4-12-16-9(3)17-20-12/h6-8H,4-5,14H2,1-3H3,(H,15,19)
InChIKeyJJPVIIZRLSRTHB-UHFFFAOYSA-N
XLogP1.32
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.32
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
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 114185667
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 80681128
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
4-amino-1,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 106413397
4-amino-1-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 106413375

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 106413314) is 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is Cc1noc(CCNC(=O)c2cc(N)cn2C(C)C)n1.
What is the InChIKey of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JJPVIIZRLSRTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)18-7-10(14)6-11(18)13(19)15-5-4-12-16-9(3)17-20-12/h6-8H,4-5,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106413314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).