1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea

C15H18ClN5O3 — CID 167892244

IUPAC1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea
SMILESO=C(NCc1nc(-c2cccc(Cl)c2)no1)NCC1COCCN1
InChIInChI=1S/C15H18ClN5O3/c16-11-3-1-2-10(6-11)14-20-13(24-21-14)8-19-15(22)18-7-12-9-23-5-4-17-12/h1-3,6,12,17H,4-5,7-9H2,(H2,18,19,22)
InChIKeyARYFZFFQRLAWER-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.18
Rot. Bonds5

About 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea (PubChem CID 167892244) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea
PubChem CID167892244
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea
SMILESO=C(NCc1nc(-c2cccc(Cl)c2)no1)NCC1COCCN1
InChIInChI=1S/C15H18ClN5O3/c16-11-3-1-2-10(6-11)14-20-13(24-21-14)8-19-15(22)18-7-12-9-23-5-4-17-12/h1-3,6,12,17H,4-5,7-9H2,(H2,18,19,22)
InChIKeyARYFZFFQRLAWER-UHFFFAOYSA-N
XLogP1.18
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
CID 121495574
(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120933610
(2S,4S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634138
trans-(1R,2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131397
3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 107917941
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 119792078
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 56791232
(1S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95628511
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,6-dichlorophenyl)propanamide
CID 100604670
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 94975471

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea?
The IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea (CID 167892244) is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea is O=C(NCc1nc(-c2cccc(Cl)c2)no1)NCC1COCCN1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea?
The InChIKey is ARYFZFFQRLAWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c16-11-3-1-2-10(6-11)14-20-13(24-21-14)8-19-15(22)18-7-12-9-23-5-4-17-12/h1-3,6,12,17H,4-5,7-9H2,(H2,18,19,22).
What are the key properties of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea?
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea has a molecular weight of 351.79 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea is sourced from PubChem (CID 167892244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).