[(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid

C11H13N5O3 — CID 155271752

IUPAC[(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
SMILESCNc1cc(-c2noc([C@H](C)NC(=O)O)n2)ccn1
InChIInChI=1S/C11H13N5O3/c1-6(14-11(17)18)10-15-9(16-19-10)7-3-4-13-8(5-7)12-2/h3-6,14H,1-2H3,(H,12,13)(H,17,18)/t6-/m0/s1
InChIKeyPZGFZFNBBOZOAY-LURJTMIESA-N
MW263.26 g/mol
LogP1.50
Rot. Bonds4

About [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid

[(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid (PubChem CID 155271752) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
PubChem CID155271752
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name[(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
SMILESCNc1cc(-c2noc([C@H](C)NC(=O)O)n2)ccn1
InChIInChI=1S/C11H13N5O3/c1-6(14-11(17)18)10-15-9(16-19-10)7-3-4-13-8(5-7)12-2/h3-6,14H,1-2H3,(H,12,13)(H,17,18)/t6-/m0/s1
InChIKeyPZGFZFNBBOZOAY-LURJTMIESA-N
XLogP1.50
TPSA113.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?
The IUPAC name of [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid (CID 155271752) is [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid is CNc1cc(-c2noc([C@H](C)NC(=O)O)n2)ccn1.
What is the InChIKey of [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?
The InChIKey is PZGFZFNBBOZOAY-LURJTMIESA-N. The full InChI is InChI=1S/C11H13N5O3/c1-6(14-11(17)18)10-15-9(16-19-10)7-3-4-13-8(5-7)12-2/h3-6,14H,1-2H3,(H,12,13)(H,17,18)/t6-/m0/s1.
What are the key properties of [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?
[(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid has a molecular weight of 263.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid is sourced from PubChem (CID 155271752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).