3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine

C16H21ClN4O2 — CID 133282298

IUPAC3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2cccc(Cl)c2)no1)N1CCOCC1
InChIInChI=1S/C16H21ClN4O2/c1-16(2,21-6-8-22-9-7-21)11-18-15-19-14(20-23-15)12-4-3-5-13(17)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,18,19,20)
InChIKeySEVLYTTWMGVIDI-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.91
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine

3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 133282298) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID133282298
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2cccc(Cl)c2)no1)N1CCOCC1
InChIInChI=1S/C16H21ClN4O2/c1-16(2,21-6-8-22-9-7-21)11-18-15-19-14(20-23-15)12-4-3-5-13(17)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,18,19,20)
InChIKeySEVLYTTWMGVIDI-UHFFFAOYSA-N
XLogP2.91
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 165350684
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133444924
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 133351341
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
CID 133351569
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133380047
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111612518
3-(3-chlorophenyl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133296011
N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine (CID 133282298) is 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine is CC(C)(CNc1nc(-c2cccc(Cl)c2)no1)N1CCOCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is SEVLYTTWMGVIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-16(2,21-6-8-22-9-7-21)11-18-15-19-14(20-23-15)12-4-3-5-13(17)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 336.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133282298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).