1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole

C12H15N11O2 — CID 160908192

IUPAC1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C3H4N2.2C3H3NO.C2H3N3.CH2N4/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeySQKOSRXNZNYRDE-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.76
Rot. Bonds

About 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole

1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole (PubChem CID 160908192) has the molecular formula C12H15N11O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole
PubChem CID160908192
Molecular FormulaC12H15N11O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C3H4N2.2C3H3NO.C2H3N3.CH2N4/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeySQKOSRXNZNYRDE-UHFFFAOYSA-N
XLogP0.76
TPSA176.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-methyl-1,2,5-oxadiazol-3-amine;N-methyloxadiazol-4-amine;N-methyl-1,2-oxazol-3-amine;N-methyl-1,2-oxazol-4-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-3H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine
CID 158059281
2-(1H-imidazol-2-yl)-1,3-oxazole;1,2-oxazole
CID 159480522
1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole;1H-1,2,4-triazole
CID 159688215
1H-imidazole;1,2-oxazole;1,3-oxazole
CID 159883494
1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole
CID 160784073
ethane;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 161059785
ethane;1H-imidazole;methane;tetradecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole
CID 168405654
1H-imidazole;1,2-oxazole;1,3-oxazole;1,2-thiazole
CID 174571343
1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
CID 174660959
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;2H-tetrazole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole (CID 160908192) is 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole is c1c[nH]cn1.c1cnoc1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1.
What is the InChIKey of 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole?
The InChIKey is SQKOSRXNZNYRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C3H3NO.C2H3N3.CH2N4/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,(H,2,3,4,5).
What are the key properties of 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole?
1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole has a molecular weight of 345.33 g/mol, XLogP of 0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole;1,3-oxazole;2H-tetrazole;1H-1,2,4-triazole is sourced from PubChem (CID 160908192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).