3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea

C18H27N5O2 — CID 122565790

IUPAC3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea
SMILESCCCN(Cc1ccccn1)C(=O)NC(C)c1nc(CC(C)C)no1
InChIInChI=1S/C18H27N5O2/c1-5-10-23(12-15-8-6-7-9-19-15)18(24)20-14(4)17-21-16(22-25-17)11-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,20,24)
InChIKeyDCGLPLMBRQOAKB-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.35
Rot. Bonds8

About 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea

3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 122565790) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea
PubChem CID122565790
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea
SMILESCCCN(Cc1ccccn1)C(=O)NC(C)c1nc(CC(C)C)no1
InChIInChI=1S/C18H27N5O2/c1-5-10-23(12-15-8-6-7-9-19-15)18(24)20-14(4)17-21-16(22-25-17)11-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,20,24)
InChIKeyDCGLPLMBRQOAKB-UHFFFAOYSA-N
XLogP3.35
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea with MolForge

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Related Compounds

3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea
CID 75377695
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
1-butyl-3-(2-methylsulfonylethyl)-1-(pyridin-2-ylmethyl)urea
CID 122562929
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide
CID 77083119
methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
CID 42778769
1-(2-methoxyethyl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(pyridin-2-ylmethyl)urea
CID 125446393
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 50957545
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea (CID 122565790) is 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea is CCCN(Cc1ccccn1)C(=O)NC(C)c1nc(CC(C)C)no1.
What is the InChIKey of 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is DCGLPLMBRQOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-10-23(12-15-8-6-7-9-19-15)18(24)20-14(4)17-21-16(22-25-17)11-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,20,24).
What are the key properties of 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea?
3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 345.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 122565790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).