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

C14H17ClN4O2 — CID 165350684

IUPAC3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(-c2noc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C14H17ClN4O2/c15-12-3-1-2-11(10-12)13-17-14(21-18-13)16-4-5-19-6-8-20-9-7-19/h1-3,10H,4-9H2,(H,16,17,18)
InChIKeyQUGXNWGNIJANIH-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.13
Rot. Bonds5

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

3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 165350684) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
PubChem CID165350684
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(-c2noc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C14H17ClN4O2/c15-12-3-1-2-11(10-12)13-17-14(21-18-13)16-4-5-19-6-8-20-9-7-19/h1-3,10H,4-9H2,(H,16,17,18)
InChIKeyQUGXNWGNIJANIH-UHFFFAOYSA-N
XLogP2.13
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 133282298
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 119027809
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-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111588298
2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 939231
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 133351341
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 59058894
3-(3-chlorophenyl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133296011
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133444924

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine (CID 165350684) is 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine is Clc1cccc(-c2noc(NCCN3CCOCC3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is QUGXNWGNIJANIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-12-3-1-2-11(10-12)13-17-14(21-18-13)16-4-5-19-6-8-20-9-7-19/h1-3,10H,4-9H2,(H,16,17,18).
What are the key properties of 3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine?
3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 308.77 g/mol, XLogP of 2.13, 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-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 165350684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).