3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

C14H13ClN6O4 — CID 16765838

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1ccco1
InChIInChI=1S/C14H13ClN6O4/c15-9-6-18-21(7-9)8-11-19-14(25-20-11)13(23)17-4-3-16-12(22)10-2-1-5-24-10/h1-2,5-7H,3-4,8H2,(H,16,22)(H,17,23)
InChIKeyYBFNFEXUHULUPR-UHFFFAOYSA-N
MW364.75 g/mol
LogP0.72
Rot. Bonds7

About 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765838) has the molecular formula C14H13ClN6O4 and a molecular weight of 364.75 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765838
Molecular FormulaC14H13ClN6O4
Molecular Weight364.75 g/mol
Exact Mass364.07
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1ccco1
InChIInChI=1S/C14H13ClN6O4/c15-9-6-18-21(7-9)8-11-19-14(25-20-11)13(23)17-4-3-16-12(22)10-2-1-5-24-10/h1-2,5-7H,3-4,8H2,(H,16,22)(H,17,23)
InChIKeyYBFNFEXUHULUPR-UHFFFAOYSA-N
XLogP0.72
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-carbonylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084615
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084508
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084480
3-[(4-chloropyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082957
N-[2-[2-(4-chloro-2-methylphenoxy)propanoylamino]ethyl]-3-[(4-chloropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084523
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084996
2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
CID 61034881
N-[2-[(2-ethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084970
N-[2-[(4-methylbenzoyl)amino]ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084591
3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide
CID 17082779
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297003

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 16765838) is 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1ccco1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YBFNFEXUHULUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O4/c15-9-6-18-21(7-9)8-11-19-14(25-20-11)13(23)17-4-3-16-12(22)10-2-1-5-24-10/h1-2,5-7H,3-4,8H2,(H,16,22)(H,17,23).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 364.75 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).