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

C23H24N4O3 — CID 24819192

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1
InChIInChI=1S/C23H24N4O3/c1-4-27-12-11-24-21(27)15-26(2)23(28)17-7-10-19-20(14-17)30-22(25-19)13-16-5-8-18(29-3)9-6-16/h5-12,14H,4,13,15H2,1-3H3
InChIKeyYWJGVROGODSQPT-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.92
Rot. Bonds7

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

N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 24819192) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID24819192
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1
InChIInChI=1S/C23H24N4O3/c1-4-27-12-11-24-21(27)15-26(2)23(28)17-7-10-19-20(14-17)30-22(25-19)13-16-5-8-18(29-3)9-6-16/h5-12,14H,4,13,15H2,1-3H3
InChIKeyYWJGVROGODSQPT-UHFFFAOYSA-N
XLogP3.92
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide (CID 24819192) is N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide is CCn1ccnc1CN(C)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is YWJGVROGODSQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-27-12-11-24-21(27)15-26(2)23(28)17-7-10-19-20(14-17)30-22(25-19)13-16-5-8-18(29-3)9-6-16/h5-12,14H,4,13,15H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]-N-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24819192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).