1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea

C19H27N5O3 — CID 154798020

IUPAC1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1cccc(-c2noc(C(C)NC(=O)NCCN3CCCCC3)n2)c1
InChIInChI=1S/C19H27N5O3/c1-14(21-19(25)20-9-12-24-10-4-3-5-11-24)18-22-17(23-27-18)15-7-6-8-16(13-15)26-2/h6-8,13-14H,3-5,9-12H2,1-2H3,(H2,20,21,25)
InChIKeyNVPSDLMTTBUOCE-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.59
Rot. Bonds7

About 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea

1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea (PubChem CID 154798020) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea
PubChem CID154798020
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1cccc(-c2noc(C(C)NC(=O)NCCN3CCCCC3)n2)c1
InChIInChI=1S/C19H27N5O3/c1-14(21-19(25)20-9-12-24-10-4-3-5-11-24)18-22-17(23-27-18)15-7-6-8-16(13-15)26-2/h6-8,13-14H,3-5,9-12H2,1-2H3,(H2,20,21,25)
InChIKeyNVPSDLMTTBUOCE-UHFFFAOYSA-N
XLogP2.59
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 136528859
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119817254
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119817252
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 139005445
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 120796164
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342812
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 86789830
4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine
CID 119160163

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea (CID 154798020) is 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea is COc1cccc(-c2noc(C(C)NC(=O)NCCN3CCCCC3)n2)c1.
What is the InChIKey of 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is NVPSDLMTTBUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-14(21-19(25)20-9-12-24-10-4-3-5-11-24)18-22-17(23-27-18)15-7-6-8-16(13-15)26-2/h6-8,13-14H,3-5,9-12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea?
1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 373.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 154798020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).