1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

C20H25N3O3 — CID 75440822

IUPAC1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NCC3CCOC(C)C3)cc2)nc1
InChIInChI=1S/C20H25N3O3/c1-14-3-8-19(21-12-14)26-18-6-4-17(5-7-18)23-20(24)22-13-16-9-10-25-15(2)11-16/h3-8,12,15-16H,9-11,13H2,1-2H3,(H2,22,23,24)
InChIKeyOZLDIXGHGUPOKQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.12
Rot. Bonds5

About 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (PubChem CID 75440822) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
PubChem CID75440822
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NCC3CCOC(C)C3)cc2)nc1
InChIInChI=1S/C20H25N3O3/c1-14-3-8-19(21-12-14)26-18-6-4-17(5-7-18)23-20(24)22-13-16-9-10-25-15(2)11-16/h3-8,12,15-16H,9-11,13H2,1-2H3,(H2,22,23,24)
InChIKeyOZLDIXGHGUPOKQ-UHFFFAOYSA-N
XLogP4.12
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (CID 75440822) is 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is Cc1ccc(Oc2ccc(NC(=O)NCC3CCOC(C)C3)cc2)nc1.
What is the InChIKey of 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The InChIKey is OZLDIXGHGUPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-3-8-19(21-12-14)26-18-6-4-17(5-7-18)23-20(24)22-13-16-9-10-25-15(2)11-16/h3-8,12,15-16H,9-11,13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea has a molecular weight of 355.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 75440822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).