4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide

C14H17ClN4O2 — CID 119063058

IUPAC4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H17ClN4O2/c1-2-19(14(20)11-6-10(15)7-16-11)8-12-17-13(21-18-12)9-4-3-5-9/h6-7,9,16H,2-5,8H2,1H3
InChIKeyKUTJTSJOZNKPMA-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.98
Rot. Bonds5

About 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide

4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 119063058) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
PubChem CID119063058
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H17ClN4O2/c1-2-19(14(20)11-6-10(15)7-16-11)8-12-17-13(21-18-12)9-4-3-5-9/h6-7,9,16H,2-5,8H2,1H3
InChIKeyKUTJTSJOZNKPMA-UHFFFAOYSA-N
XLogP2.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131904872
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70752025
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-sulfamoylbenzamide
CID 77090358
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-piperidin-3-ylbenzamide
CID 72858448
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
CID 121498181
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 29023984
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 118762456
(2R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylmorpholine-2-carboxamide
CID 95729325
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 91781941
4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide (CID 119063058) is 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide is CCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is KUTJTSJOZNKPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-19(14(20)11-6-10(15)7-16-11)8-12-17-13(21-18-12)9-4-3-5-9/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119063058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).