2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

C23H24N4O2 — CID 24790720

IUPAC2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(15-21-24-11-12-26(21)3)23(28)18-9-10-20-19(14-18)25-22(29-20)13-17-7-5-4-6-8-17/h4-12,14,16H,13,15H2,1-3H3
InChIKeyILXLEKWSAJKSKM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.20
Rot. Bonds6

About 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 24790720) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID24790720
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C23H24N4O2/c1-16(2)27(15-21-24-11-12-26(21)3)23(28)18-9-10-20-19(14-18)25-22(29-20)13-17-7-5-4-6-8-17/h4-12,14,16H,13,15H2,1-3H3
InChIKeyILXLEKWSAJKSKM-UHFFFAOYSA-N
XLogP4.20
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 24790720) is 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is ILXLEKWSAJKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(2)27(15-21-24-11-12-26(21)3)23(28)18-9-10-20-19(14-18)25-22(29-20)13-17-7-5-4-6-8-17/h4-12,14,16H,13,15H2,1-3H3.
What are the key properties of 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24790720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).