1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea

C13H17N5O4 — CID 74240076

IUPAC1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOCc1noc(CCNC(=O)Nc2ccc(OC)nc2)n1
InChIInChI=1S/C13H17N5O4/c1-20-8-10-17-12(22-18-10)5-6-14-13(19)16-9-3-4-11(21-2)15-7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,14,16,19)
InChIKeyOIHLVWJMCDFGMG-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.98
Rot. Bonds7

About 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea

1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 74240076) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
PubChem CID74240076
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOCc1noc(CCNC(=O)Nc2ccc(OC)nc2)n1
InChIInChI=1S/C13H17N5O4/c1-20-8-10-17-12(22-18-10)5-6-14-13(19)16-9-3-4-11(21-2)15-7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,14,16,19)
InChIKeyOIHLVWJMCDFGMG-UHFFFAOYSA-N
XLogP0.98
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea with MolForge

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Related Compounds

1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 72866993
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 91796620
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497
1-(2-methoxyphenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 47087362
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea (CID 74240076) is 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea is COCc1noc(CCNC(=O)Nc2ccc(OC)nc2)n1.
What is the InChIKey of 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is OIHLVWJMCDFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-20-8-10-17-12(22-18-10)5-6-14-13(19)16-9-3-4-11(21-2)15-7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,14,16,19).
What are the key properties of 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea?
1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 307.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 74240076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).