(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate

C16H13Cl2N3O3 — CID 155948350

IUPAC(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)o1
InChIInChI=1S/C16H13Cl2N3O3/c1-9-13(24-10(2)19-9)15(22)23-8-12-14(17)20-16(18)21(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyKQRWBXTUNNGNKQ-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.14
Rot. Bonds4

About (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate

(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate (PubChem CID 155948350) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Name(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
PubChem CID155948350
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)o1
InChIInChI=1S/C16H13Cl2N3O3/c1-9-13(24-10(2)19-9)15(22)23-8-12-14(17)20-16(18)21(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyKQRWBXTUNNGNKQ-UHFFFAOYSA-N
XLogP4.14
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate (CID 155948350) is (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate is Cc1nc(C)c(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)o1.
What is the InChIKey of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate?
The InChIKey is KQRWBXTUNNGNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-9-13(24-10(2)19-9)15(22)23-8-12-14(17)20-16(18)21(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate?
(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate has a molecular weight of 366.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 155948350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).