2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide

C20H24N4O2 — CID 24793936

IUPAC2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)17(11-24-9-8-21-12-24)23-18(25)14-6-7-15-16(10-14)26-19(22-15)13-4-5-13/h6-10,12-13,17H,4-5,11H2,1-3H3,(H,23,25)
InChIKeyCXCOWZVWUDVIKH-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.75
Rot. Bonds5

About 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide

2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide (PubChem CID 24793936) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide
PubChem CID24793936
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)17(11-24-9-8-21-12-24)23-18(25)14-6-7-15-16(10-14)26-19(22-15)13-4-5-13/h6-10,12-13,17H,4-5,11H2,1-3H3,(H,23,25)
InChIKeyCXCOWZVWUDVIKH-UHFFFAOYSA-N
XLogP3.75
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide (CID 24793936) is 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide is CC(C)(C)C(Cn1ccnc1)NC(=O)c1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is CXCOWZVWUDVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)17(11-24-9-8-21-12-24)23-18(25)14-6-7-15-16(10-14)26-19(22-15)13-4-5-13/h6-10,12-13,17H,4-5,11H2,1-3H3,(H,23,25).
What are the key properties of 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide?
2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24793936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).