2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide

C24H29N3O4 — CID 24791069

IUPAC2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)N(C)CCCN4CCOCC4)cc3o2)cc1
InChIInChI=1S/C24H29N3O4/c1-26(10-3-11-27-12-14-30-15-13-27)24(28)19-6-9-21-22(17-19)31-23(25-21)16-18-4-7-20(29-2)8-5-18/h4-9,17H,3,10-16H2,1-2H3
InChIKeyRACBMNDPHDJIKB-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.22
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide

2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 24791069) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide
PubChem CID24791069
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)N(C)CCCN4CCOCC4)cc3o2)cc1
InChIInChI=1S/C24H29N3O4/c1-26(10-3-11-27-12-14-30-15-13-27)24(28)19-6-9-21-22(17-19)31-23(25-21)16-18-4-7-20(29-2)8-5-18/h4-9,17H,3,10-16H2,1-2H3
InChIKeyRACBMNDPHDJIKB-UHFFFAOYSA-N
XLogP3.22
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide (CID 24791069) is 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide is COc1ccc(Cc2nc3ccc(C(=O)N(C)CCCN4CCOCC4)cc3o2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is RACBMNDPHDJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-26(10-3-11-27-12-14-30-15-13-27)24(28)19-6-9-21-22(17-19)31-23(25-21)16-18-4-7-20(29-2)8-5-18/h4-9,17H,3,10-16H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide?
2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24791069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).