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

C19H18Cl2N4O3 — CID 43063792

IUPACN-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C19H18Cl2N4O3/c20-13-7-6-12(10-14(13)21)22-19(26)15-4-1-2-8-25(15)11-17-23-18(24-28-17)16-5-3-9-27-16/h3,5-7,9-10,15H,1-2,4,8,11H2,(H,22,26)
InChIKeyKHKVYLJQAAPNEL-UHFFFAOYSA-N
MW421.28 g/mol
LogP4.63
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (PubChem CID 43063792) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
PubChem CID43063792
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC NameN-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C19H18Cl2N4O3/c20-13-7-6-12(10-14(13)21)22-19(26)15-4-1-2-8-25(15)11-17-23-18(24-28-17)16-5-3-9-27-16/h3,5-7,9-10,15H,1-2,4,8,11H2,(H,22,26)
InChIKeyKHKVYLJQAAPNEL-UHFFFAOYSA-N
XLogP4.63
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957925
N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957909
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
N-(3,4-dichlorophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930051

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (CID 43063792) is N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
The InChIKey is KHKVYLJQAAPNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3/c20-13-7-6-12(10-14(13)21)22-19(26)15-4-1-2-8-25(15)11-17-23-18(24-28-17)16-5-3-9-27-16/h3,5-7,9-10,15H,1-2,4,8,11H2,(H,22,26).
What are the key properties of N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide has a molecular weight of 421.28 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 43063792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).