methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate

C6H9N3O3 — CID 115612439

IUPACmethyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCc1nc(C)no1
InChIInChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)3-7-6(10)11-2/h3H2,1-2H3,(H,7,10)
InChIKeyRQWFXOJFJSSTEO-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.23
Rot. Bonds2

About methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate

methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate (PubChem CID 115612439) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
PubChem CID115612439
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Namemethyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCc1nc(C)no1
InChIInChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)3-7-6(10)11-2/h3H2,1-2H3,(H,7,10)
InChIKeyRQWFXOJFJSSTEO-UHFFFAOYSA-N
XLogP0.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 82594465
tert-butyl N-[2-[[N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884386
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 146086539
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
The IUPAC name of methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate (CID 115612439) is methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate is COC(=O)NCc1nc(C)no1.
What is the InChIKey of methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
The InChIKey is RQWFXOJFJSSTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)3-7-6(10)11-2/h3H2,1-2H3,(H,7,10).
What are the key properties of methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate has a molecular weight of 171.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 115612439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).