N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide

C15H20N4O2 — CID 125162457

IUPACN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H](C)c1nncn1C1CCCC1
InChIInChI=1S/C15H20N4O2/c1-10(17-15(20)13-7-8-21-11(13)2)14-18-16-9-19(14)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyWIOXMDDEAUEDQM-JTQLQIEISA-N
MW288.35 g/mol
LogP2.79
Rot. Bonds4

About N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide

N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 125162457) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
PubChem CID125162457
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H](C)c1nncn1C1CCCC1
InChIInChI=1S/C15H20N4O2/c1-10(17-15(20)13-7-8-21-11(13)2)14-18-16-9-19(14)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyWIOXMDDEAUEDQM-JTQLQIEISA-N
XLogP2.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512967
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
CID 124843003
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 124758168
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125173992
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 118773114
3-[[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]-N,4-dimethylbenzamide
CID 125158221
3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide
CID 118768495
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide (CID 125162457) is N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N[C@@H](C)c1nncn1C1CCCC1.
What is the InChIKey of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is WIOXMDDEAUEDQM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(17-15(20)13-7-8-21-11(13)2)14-18-16-9-19(14)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide?
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 125162457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).