3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C17H21N7O3 — CID 122558222

IUPAC3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCN(Cc1nc(-c2ccncc2)no1)C(=O)NCc1nc(C(C)(C)C)no1
InChIInChI=1S/C17H21N7O3/c1-17(2,3)15-21-12(26-23-15)9-19-16(25)24(4)10-13-20-14(22-27-13)11-5-7-18-8-6-11/h5-8H,9-10H2,1-4H3,(H,19,25)
InChIKeyWLFUOPXJPDEPRB-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.15
Rot. Bonds5

About 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea

3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 122558222) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID122558222
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCN(Cc1nc(-c2ccncc2)no1)C(=O)NCc1nc(C(C)(C)C)no1
InChIInChI=1S/C17H21N7O3/c1-17(2,3)15-21-12(26-23-15)9-19-16(25)24(4)10-13-20-14(22-27-13)11-5-7-18-8-6-11/h5-8H,9-10H2,1-4H3,(H,19,25)
InChIKeyWLFUOPXJPDEPRB-UHFFFAOYSA-N
XLogP2.15
TPSA123.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
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1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
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3-(1-imidazol-1-ylbutan-2-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 121496407
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 78861696
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 96579384
1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122566587
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 72930512
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 122558222) is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea is CN(Cc1nc(-c2ccncc2)no1)C(=O)NCc1nc(C(C)(C)C)no1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is WLFUOPXJPDEPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-17(2,3)15-21-12(26-23-15)9-19-16(25)24(4)10-13-20-14(22-27-13)11-5-7-18-8-6-11/h5-8H,9-10H2,1-4H3,(H,19,25).
What are the key properties of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 371.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 122558222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).