1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C18H24N4O3 — CID 49282481

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)no1
InChIInChI=1S/C18H24N4O3/c1-12-8-16(21-25-12)9-19-18(23)20-15-4-6-17(7-5-15)22-10-13(2)24-14(3)11-22/h4-8,13-14H,9-11H2,1-3H3,(H2,19,20,23)
InChIKeyOGGNRKUYUNCPKB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.92
Rot. Bonds4

About 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 49282481) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID49282481
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)no1
InChIInChI=1S/C18H24N4O3/c1-12-8-16(21-25-12)9-19-18(23)20-15-4-6-17(7-5-15)22-10-13(2)24-14(3)11-22/h4-8,13-14H,9-11H2,1-3H3,(H2,19,20,23)
InChIKeyOGGNRKUYUNCPKB-UHFFFAOYSA-N
XLogP2.92
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 49282481) is 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)no1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is OGGNRKUYUNCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-8-16(21-25-12)9-19-18(23)20-15-4-6-17(7-5-15)22-10-13(2)24-14(3)11-22/h4-8,13-14H,9-11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 49282481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).