1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea

C22H25N5O5 — CID 137282994

IUPAC1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea
SMILESCOc1ccc(CC(NC(=O)Nc2ccc(N3CCOCC3)cc2)c2noc(=O)[nH]2)cc1
InChIInChI=1S/C22H25N5O5/c1-30-18-8-2-15(3-9-18)14-19(20-25-22(29)32-26-20)24-21(28)23-16-4-6-17(7-5-16)27-10-12-31-13-11-27/h2-9,19H,10-14H2,1H3,(H2,23,24,28)(H,25,26,29)
InChIKeyRCAVWFHISYWHHJ-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.31
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea

1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea (PubChem CID 137282994) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea
PubChem CID137282994
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea
SMILESCOc1ccc(CC(NC(=O)Nc2ccc(N3CCOCC3)cc2)c2noc(=O)[nH]2)cc1
InChIInChI=1S/C22H25N5O5/c1-30-18-8-2-15(3-9-18)14-19(20-25-22(29)32-26-20)24-21(28)23-16-4-6-17(7-5-16)27-10-12-31-13-11-27/h2-9,19H,10-14H2,1H3,(H2,23,24,28)(H,25,26,29)
InChIKeyRCAVWFHISYWHHJ-UHFFFAOYSA-N
XLogP2.31
TPSA121.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 137282988
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7754339
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 48628219
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea (CID 137282994) is 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea is COc1ccc(CC(NC(=O)Nc2ccc(N3CCOCC3)cc2)c2noc(=O)[nH]2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea?
The InChIKey is RCAVWFHISYWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-30-18-8-2-15(3-9-18)14-19(20-25-22(29)32-26-20)24-21(28)23-16-4-6-17(7-5-16)27-10-12-31-13-11-27/h2-9,19H,10-14H2,1H3,(H2,23,24,28)(H,25,26,29).
What are the key properties of 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea?
1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea has a molecular weight of 439.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 137282994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).