5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline

C17H17ClN4O3 — CID 43052587

IUPAC5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
SMILESClc1ccc(N2CCOCC2)c(NCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C17H17ClN4O3/c18-12-3-4-14(22-5-8-23-9-6-22)13(10-12)19-11-16-20-17(21-25-16)15-2-1-7-24-15/h1-4,7,10,19H,5-6,8-9,11H2
InChIKeyDMYFZRCJCIPIBV-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline

5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline (PubChem CID 43052587) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
PubChem CID43052587
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
SMILESClc1ccc(N2CCOCC2)c(NCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C17H17ClN4O3/c18-12-3-4-14(22-5-8-23-9-6-22)13(10-12)19-11-16-20-17(21-25-16)15-2-1-7-24-15/h1-4,7,10,19H,5-6,8-9,11H2
InChIKeyDMYFZRCJCIPIBV-UHFFFAOYSA-N
XLogP3.43
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline with MolForge

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
CID 3624808
8-Chloro-2-furan-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10108084
2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
CID 4360053
(4-{[4-Amino-6-(3-chloroanilino)-1,3,5-triazin-2-yl]methyl}piperazino)(2-furyl)methanone
CID 1494727
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)butanamide
CID 16015253
N-(3-chloro-4-methylphenyl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 16015275
5-[[4-(3-Chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 25342993
N-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methoxyaniline
CID 34273660
N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 39976624
3-fluoro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 45870476
4-fluoro-N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 45881421
2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 66802557

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline?
The IUPAC name of 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline (CID 43052587) is 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline.
What is the SMILES notation for 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline?
The canonical SMILES for 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline is Clc1ccc(N2CCOCC2)c(NCc2nc(-c3ccco3)no2)c1.
What is the InChIKey of 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline?
The InChIKey is DMYFZRCJCIPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c18-12-3-4-14(22-5-8-23-9-6-22)13(10-12)19-11-16-20-17(21-25-16)15-2-1-7-24-15/h1-4,7,10,19H,5-6,8-9,11H2.
What are the key properties of 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline?
5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline has a molecular weight of 360.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline is sourced from PubChem (CID 43052587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).