[2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid

C8H14N4O3 — CID 134249403

IUPAC[2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
SMILESCNc1nnc(C(NC(=O)O)C(C)C)o1
InChIInChI=1S/C8H14N4O3/c1-4(2)5(10-8(13)14)6-11-12-7(9-3)15-6/h4-5,10H,1-3H3,(H,9,12)(H,13,14)
InChIKeyXYWJOAYLVSKNPQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.08
Rot. Bonds4

About [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid

[2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid (PubChem CID 134249403) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
PubChem CID134249403
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name[2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
SMILESCNc1nnc(C(NC(=O)O)C(C)C)o1
InChIInChI=1S/C8H14N4O3/c1-4(2)5(10-8(13)14)6-11-12-7(9-3)15-6/h4-5,10H,1-3H3,(H,9,12)(H,13,14)
InChIKeyXYWJOAYLVSKNPQ-UHFFFAOYSA-N
XLogP1.08
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid?
The IUPAC name of [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid (CID 134249403) is [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid.
What is the SMILES notation for [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid?
The canonical SMILES for [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid is CNc1nnc(C(NC(=O)O)C(C)C)o1.
What is the InChIKey of [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid?
The InChIKey is XYWJOAYLVSKNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-4(2)5(10-8(13)14)6-11-12-7(9-3)15-6/h4-5,10H,1-3H3,(H,9,12)(H,13,14).
What are the key properties of [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid?
[2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid has a molecular weight of 214.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid is sourced from PubChem (CID 134249403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).