N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C19H21ClN4O2 — CID 56530498

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(Cl)cc2-n2cccc2)n1
InChIInChI=1S/C19H21ClN4O2/c1-13(2)19-22-18(26-23-19)7-5-6-17(25)21-15-9-8-14(20)12-16(15)24-10-3-4-11-24/h3-4,8-13H,5-7H2,1-2H3,(H,21,25)
InChIKeyYWVYHZGSYJTRKV-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.60
Rot. Bonds7

About N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 56530498) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID56530498
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(Cl)cc2-n2cccc2)n1
InChIInChI=1S/C19H21ClN4O2/c1-13(2)19-22-18(26-23-19)7-5-6-17(25)21-15-9-8-14(20)12-16(15)24-10-3-4-11-24/h3-4,8-13H,5-7H2,1-2H3,(H,21,25)
InChIKeyYWVYHZGSYJTRKV-UHFFFAOYSA-N
XLogP4.60
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55757376
N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
CID 56530387
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56582587
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 47255836
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394
3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide
CID 49084815
2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 55906398
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 56530498) is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)Nc2ccc(Cl)cc2-n2cccc2)n1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is YWVYHZGSYJTRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-13(2)19-22-18(26-23-19)7-5-6-17(25)21-15-9-8-14(20)12-16(15)24-10-3-4-11-24/h3-4,8-13H,5-7H2,1-2H3,(H,21,25).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 372.86 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 56530498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).