1H-imidazole;1,2-oxazole;1,3-oxazole

C9H10N4O2 — CID 159883494

IUPAC1H-imidazole;1,2-oxazole;1,3-oxazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1
InChIInChI=1S/C3H4N2.2C3H3NO/c2*1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-3H
InChIKeyNTVIXMHLEMPITE-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.76
Rot. Bonds

About 1H-imidazole;1,2-oxazole;1,3-oxazole

1H-imidazole;1,2-oxazole;1,3-oxazole (PubChem CID 159883494) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole;1,3-oxazole
PubChem CID159883494
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1H-imidazole;1,2-oxazole;1,3-oxazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1
InChIInChI=1S/C3H4N2.2C3H3NO/c2*1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-3H
InChIKeyNTVIXMHLEMPITE-UHFFFAOYSA-N
XLogP1.76
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methylimidazole;1,2-oxazole;1,3-oxazole
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2-(1H-imidazol-2-yl)-1,3-oxazole;1,2-oxazole
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Imidazolidine;1,2-oxazole;1,3-oxazole
CID 159821098
1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole
CID 160784073
1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole
CID 160908192
1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole
CID 174571343
1,2-oxazole;1,3-oxazole;7H-purine
CID 174661923
1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole
CID 174664359

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole?
The IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole (CID 159883494) is 1H-imidazole;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 1H-imidazole;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 1H-imidazole;1,2-oxazole;1,3-oxazole is c1c[nH]cn1.c1cnoc1.c1cocn1.
What is the InChIKey of 1H-imidazole;1,2-oxazole;1,3-oxazole?
The InChIKey is NTVIXMHLEMPITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C3H3NO/c2*1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-3H.
What are the key properties of 1H-imidazole;1,2-oxazole;1,3-oxazole?
1H-imidazole;1,2-oxazole;1,3-oxazole has a molecular weight of 206.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 159883494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).