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

C14H15N7O3S — CID 174660959

IUPAC1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1conn1.c1cscn1
InChIInChI=1S/C3H4N2.2C3H3NO.C3H3NS.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-3H,(H,4,5);3*1-3H;1-2H
InChIKeyDNBWVJZFQBAHSO-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.97
Rot. Bonds

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

1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole (PubChem CID 174660959) has the molecular formula C14H15N7O3S and a molecular weight of 361.39 g/mol. Its IUPAC name is 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole.

Molecular Properties

Compound Name1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
PubChem CID174660959
Molecular FormulaC14H15N7O3S
Molecular Weight361.39 g/mol
Exact Mass361.10
IUPAC Name1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1conn1.c1cscn1
InChIInChI=1S/C3H4N2.2C3H3NO.C3H3NS.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-3H,(H,4,5);3*1-3H;1-2H
InChIKeyDNBWVJZFQBAHSO-UHFFFAOYSA-N
XLogP2.97
TPSA132.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The IUPAC name of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole (CID 174660959) is 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole.
What is the SMILES notation for 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The canonical SMILES for 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole is c1c[nH]cn1.c1cnoc1.c1cocn1.c1conn1.c1cscn1.
What is the InChIKey of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The InChIKey is DNBWVJZFQBAHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C3H3NO.C3H3NS.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1/h1-3H,(H,4,5);3*1-3H;1-2H.
What are the key properties of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole has a molecular weight of 361.39 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 174660959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).