1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

C22H26N4O3 — CID 25204669

IUPAC1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCc1cccc(C)c1-c1noc(C)c1NC(=O)NCc1ccc(OC(C)C)nc1
InChIInChI=1S/C22H26N4O3/c1-13(2)28-18-10-9-17(11-23-18)12-24-22(27)25-20-16(5)29-26-21(20)19-14(3)7-6-8-15(19)4/h6-11,13H,12H2,1-5H3,(H2,24,25,27)
InChIKeyUWCSVJUFNQXMON-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.77
Rot. Bonds6

About 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 25204669) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID25204669
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCc1cccc(C)c1-c1noc(C)c1NC(=O)NCc1ccc(OC(C)C)nc1
InChIInChI=1S/C22H26N4O3/c1-13(2)28-18-10-9-17(11-23-18)12-24-22(27)25-20-16(5)29-26-21(20)19-14(3)7-6-8-15(19)4/h6-11,13H,12H2,1-5H3,(H2,24,25,27)
InChIKeyUWCSVJUFNQXMON-UHFFFAOYSA-N
XLogP4.77
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 25204669) is 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is Cc1cccc(C)c1-c1noc(C)c1NC(=O)NCc1ccc(OC(C)C)nc1.
What is the InChIKey of 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is UWCSVJUFNQXMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13(2)28-18-10-9-17(11-23-18)12-24-22(27)25-20-16(5)29-26-21(20)19-14(3)7-6-8-15(19)4/h6-11,13H,12H2,1-5H3,(H2,24,25,27).
What are the key properties of 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 394.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 25204669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).