2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol

C10H8N4O2 — CID 589554

IUPAC2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol
SMILESOc1cnc(Nc2nc3ccccc3o2)[nH]1
InChIInChI=1S/C10H8N4O2/c15-8-5-11-9(13-8)14-10-12-6-3-1-2-4-7(6)16-10/h1-5,15H,(H2,11,12,13,14)
InChIKeyNRWAOENQTBAQQU-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.00
Rot. Bonds2

About 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol

2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol (PubChem CID 589554) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol
PubChem CID589554
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol
SMILESOc1cnc(Nc2nc3ccccc3o2)[nH]1
InChIInChI=1S/C10H8N4O2/c15-8-5-11-9(13-8)14-10-12-6-3-1-2-4-7(6)16-10/h1-5,15H,(H2,11,12,13,14)
InChIKeyNRWAOENQTBAQQU-UHFFFAOYSA-N
XLogP2.00
TPSA86.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol (CID 589554) is 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol is Oc1cnc(Nc2nc3ccccc3o2)[nH]1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol?
The InChIKey is NRWAOENQTBAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-8-5-11-9(13-8)14-10-12-6-3-1-2-4-7(6)16-10/h1-5,15H,(H2,11,12,13,14).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol?
2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol has a molecular weight of 216.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-1H-imidazol-5-ol is sourced from PubChem (CID 589554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).