(5-methyl-1,3,4-oxadiazol-2-yl)methylurea

C5H8N4O2 — CID 130738422

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
SMILESCc1nnc(CNC(N)=O)o1
InChIInChI=1S/C5H8N4O2/c1-3-8-9-4(11-3)2-7-5(6)10/h2H2,1H3,(H3,6,7,10)
InChIKeyIEPYXTHVFZYMKW-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.45
Rot. Bonds2

About (5-methyl-1,3,4-oxadiazol-2-yl)methylurea

(5-methyl-1,3,4-oxadiazol-2-yl)methylurea (PubChem CID 130738422) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methylurea.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
PubChem CID130738422
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
SMILESCc1nnc(CNC(N)=O)o1
InChIInChI=1S/C5H8N4O2/c1-3-8-9-4(11-3)2-7-5(6)10/h2H2,1H3,(H3,6,7,10)
InChIKeyIEPYXTHVFZYMKW-UHFFFAOYSA-N
XLogP-0.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
CID 106237182
2,3,3-trimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 70795304
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
CID 103914210
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 75357594
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
CID 86287074
ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320280
N,N-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 103605600
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 71785534
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methylurea?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methylurea (CID 130738422) is (5-methyl-1,3,4-oxadiazol-2-yl)methylurea.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methylurea?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methylurea is Cc1nnc(CNC(N)=O)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methylurea?
The InChIKey is IEPYXTHVFZYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3-8-9-4(11-3)2-7-5(6)10/h2H2,1H3,(H3,6,7,10).
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methylurea?
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea has a molecular weight of 156.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methylurea is sourced from PubChem (CID 130738422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).