3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one

C12H13N5O3 — CID 90962455

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one
SMILESCc1noc(C)c1-n1c(O)c(Cc2cnc[nH]2)[nH]c1=O
InChIInChI=1S/C12H13N5O3/c1-6-10(7(2)20-16-6)17-11(18)9(15-12(17)19)3-8-4-13-5-14-8/h4-5,18H,3H2,1-2H3,(H,13,14)(H,15,19)
InChIKeyRTDRPWDANYGNFQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.79
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one (PubChem CID 90962455) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one
PubChem CID90962455
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one
SMILESCc1noc(C)c1-n1c(O)c(Cc2cnc[nH]2)[nH]c1=O
InChIInChI=1S/C12H13N5O3/c1-6-10(7(2)20-16-6)17-11(18)9(15-12(17)19)3-8-4-13-5-14-8/h4-5,18H,3H2,1-2H3,(H,13,14)(H,15,19)
InChIKeyRTDRPWDANYGNFQ-UHFFFAOYSA-N
XLogP0.79
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
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5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
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1-(1H-imidazol-5-yl)-3-methylbutan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one (CID 90962455) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one is Cc1noc(C)c1-n1c(O)c(Cc2cnc[nH]2)[nH]c1=O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one?
The InChIKey is RTDRPWDANYGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-6-10(7(2)20-16-6)17-11(18)9(15-12(17)19)3-8-4-13-5-14-8/h4-5,18H,3H2,1-2H3,(H,13,14)(H,15,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one has a molecular weight of 275.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-(1H-imidazol-5-ylmethyl)-1H-imidazol-2-one is sourced from PubChem (CID 90962455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).