4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol

C14H18N4O2 — CID 134330677

IUPAC4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C14H18N4O2/c15-11(8-9-3-5-10(19)6-4-9)13-17-14(20-18-13)12-2-1-7-16-12/h3-6,11-12,16,19H,1-2,7-8,15H2/t11?,12-/m0/s1
InChIKeySJLIRYISJGJLBQ-KIYNQFGBSA-N
MW274.32 g/mol
LogP1.44
Rot. Bonds4

About 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol

4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol (PubChem CID 134330677) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol
PubChem CID134330677
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C14H18N4O2/c15-11(8-9-3-5-10(19)6-4-9)13-17-14(20-18-13)12-2-1-7-16-12/h3-6,11-12,16,19H,1-2,7-8,15H2/t11?,12-/m0/s1
InChIKeySJLIRYISJGJLBQ-KIYNQFGBSA-N
XLogP1.44
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol?
The IUPAC name of 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol (CID 134330677) is 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol is NC(Cc1ccc(O)cc1)c1noc([C@@H]2CCCN2)n1.
What is the InChIKey of 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol?
The InChIKey is SJLIRYISJGJLBQ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-11(8-9-3-5-10(19)6-4-9)13-17-14(20-18-13)12-2-1-7-16-12/h3-6,11-12,16,19H,1-2,7-8,15H2/t11?,12-/m0/s1.
What are the key properties of 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol?
4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol has a molecular weight of 274.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol is sourced from PubChem (CID 134330677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).