4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

C24H29N3O3 — CID 46424589

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)CC(C)O1
InChIInChI=1S/C24H29N3O3/c1-15(2)24-26-21-11-20(9-10-22(21)30-24)25-23(28)19-7-5-18(6-8-19)14-27-12-16(3)29-17(4)13-27/h5-11,15-17H,12-14H2,1-4H3,(H,25,28)
InChIKeyXRQBESLJIWRDMH-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.81
Rot. Bonds5

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 46424589) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID46424589
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)CC(C)O1
InChIInChI=1S/C24H29N3O3/c1-15(2)24-26-21-11-20(9-10-22(21)30-24)25-23(28)19-7-5-18(6-8-19)14-27-12-16(3)29-17(4)13-27/h5-11,15-17H,12-14H2,1-4H3,(H,25,28)
InChIKeyXRQBESLJIWRDMH-UHFFFAOYSA-N
XLogP4.81
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide with MolForge

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Related Compounds

4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 55622821
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 47026774
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 53089491
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (CID 46424589) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is CC1CN(Cc2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is XRQBESLJIWRDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15(2)24-26-21-11-20(9-10-22(21)30-24)25-23(28)19-7-5-18(6-8-19)14-27-12-16(3)29-17(4)13-27/h5-11,15-17H,12-14H2,1-4H3,(H,25,28).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 407.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 46424589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).