2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid

C6H10N4O3 — CID 134256742

IUPAC2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid
SMILESCNc1nnc(CCNC(=O)O)o1
InChIInChI=1S/C6H10N4O3/c1-7-5-10-9-4(13-5)2-3-8-6(11)12/h8H,2-3H2,1H3,(H,7,10)(H,11,12)
InChIKeyYJHPOTIEDDGHNN-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.08
Rot. Bonds4

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

2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid (PubChem CID 134256742) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid
PubChem CID134256742
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid
SMILESCNc1nnc(CCNC(=O)O)o1
InChIInChI=1S/C6H10N4O3/c1-7-5-10-9-4(13-5)2-3-8-6(11)12/h8H,2-3H2,1H3,(H,7,10)(H,11,12)
InChIKeyYJHPOTIEDDGHNN-UHFFFAOYSA-N
XLogP-0.08
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid (CID 134256742) is 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid is CNc1nnc(CCNC(=O)O)o1.
What is the InChIKey of 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
The InChIKey is YJHPOTIEDDGHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-7-5-10-9-4(13-5)2-3-8-6(11)12/h8H,2-3H2,1H3,(H,7,10)(H,11,12).
What are the key properties of 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid has a molecular weight of 186.17 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 134256742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).