5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C20H24N4O2 — CID 46977170

IUPAC5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCn1cnc2ccc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)cc21
InChIInChI=1S/C20H24N4O2/c1-20(2,3)12-5-8-17-14(9-12)18(23-26-17)19(25)22-13-6-7-15-16(10-13)24(4)11-21-15/h6-7,10-12H,5,8-9H2,1-4H3,(H,22,25)
InChIKeyTWJJUIBWDLEWRJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.96
Rot. Bonds2

About 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 46977170) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID46977170
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCn1cnc2ccc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)cc21
InChIInChI=1S/C20H24N4O2/c1-20(2,3)12-5-8-17-14(9-12)18(23-26-17)19(25)22-13-6-7-15-16(10-13)24(4)11-21-15/h6-7,10-12H,5,8-9H2,1-4H3,(H,22,25)
InChIKeyTWJJUIBWDLEWRJ-UHFFFAOYSA-N
XLogP3.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 158514765
(5S)-5-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 41098568
5-tert-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 46970633
(5R)-5-tert-butyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 92626533
(5S)-5-tert-butyl-N-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 41098588
5-tert-butyl-N-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17023259
N-(1-benzylpyrazol-4-yl)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19397570
5-tert-butyl-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19283827
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19404079
5-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19582083
5-tert-butyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19338126
5-tert-butyl-N-[1-(naphthalen-2-ylmethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24827282

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 46977170) is 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cn1cnc2ccc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)cc21.
What is the InChIKey of 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is TWJJUIBWDLEWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)12-5-8-17-14(9-12)18(23-26-17)19(25)22-13-6-7-15-16(10-13)24(4)11-21-15/h6-7,10-12H,5,8-9H2,1-4H3,(H,22,25).
What are the key properties of 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 46977170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).