1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea

C19H25N5O2 — CID 166301606

IUPAC1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea
SMILESCCN1CCC[C@@H](NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1
InChIInChI=1S/C19H25N5O2/c1-2-24-10-4-7-16(12-24)21-19(25)20-15-6-3-5-14(11-15)17-22-18(26-23-17)13-8-9-13/h3,5-6,11,13,16H,2,4,7-10,12H2,1H3,(H2,20,21,25)/t16-/m1/s1
InChIKeyPDDXTQNNXOBSPP-MRXNPFEDSA-N
MW355.44 g/mol
LogP3.22
Rot. Bonds5

About 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea (PubChem CID 166301606) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea
PubChem CID166301606
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea
SMILESCCN1CCC[C@@H](NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1
InChIInChI=1S/C19H25N5O2/c1-2-24-10-4-7-16(12-24)21-19(25)20-15-6-3-5-14(11-15)17-22-18(26-23-17)13-8-9-13/h3,5-6,11,13,16H,2,4,7-10,12H2,1H3,(H2,20,21,25)/t16-/m1/s1
InChIKeyPDDXTQNNXOBSPP-MRXNPFEDSA-N
XLogP3.22
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea with MolForge

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Related Compounds

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea
CID 167785307
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777719
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122086534
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
(3R)-N-(3-ethylphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7297536
4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086537
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 167875237
N-[3-[5-[(3S)-1-(3-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897567
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea?
The IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea (CID 166301606) is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea.
What is the SMILES notation for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea?
The canonical SMILES for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea is CCN1CCC[C@@H](NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1.
What is the InChIKey of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea?
The InChIKey is PDDXTQNNXOBSPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-24-10-4-7-16(12-24)21-19(25)20-15-6-3-5-14(11-15)17-22-18(26-23-17)13-8-9-13/h3,5-6,11,13,16H,2,4,7-10,12H2,1H3,(H2,20,21,25)/t16-/m1/s1.
What are the key properties of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea?
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea has a molecular weight of 355.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea is sourced from PubChem (CID 166301606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).