5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide

C11H14N4O3 — CID 106416216

IUPAC5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc(CN)o2)no1
InChIInChI=1S/C11H14N4O3/c1-7-14-10(15-18-7)4-5-13-11(16)9-3-2-8(6-12)17-9/h2-3H,4-6,12H2,1H3,(H,13,16)
InChIKeyQPPHHKLFPBXJGX-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.40
Rot. Bonds5

About 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide

5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 106416216) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
PubChem CID106416216
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc(CN)o2)no1
InChIInChI=1S/C11H14N4O3/c1-7-14-10(15-18-7)4-5-13-11(16)9-3-2-8(6-12)17-9/h2-3H,4-6,12H2,1H3,(H,13,16)
InChIKeyQPPHHKLFPBXJGX-UHFFFAOYSA-N
XLogP0.40
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106415935
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 114185662
1-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 91917578

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide (CID 106416216) is 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide is Cc1nc(CCNC(=O)c2ccc(CN)o2)no1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is QPPHHKLFPBXJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-14-10(15-18-7)4-5-13-11(16)9-3-2-8(6-12)17-9/h2-3H,4-6,12H2,1H3,(H,13,16).
What are the key properties of 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 106416216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).