3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide

C17H19N3O4 — CID 110608030

IUPAC3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C17H19N3O4/c1-9-13(14(19-24-9)17(2,3)4)15(21)18-10-6-7-12-11(8-10)20(5)16(22)23-12/h6-8H,1-5H3,(H,18,21)
InChIKeyMLHNYLAGJFKINL-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.98
Rot. Bonds2

About 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide (PubChem CID 110608030) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
PubChem CID110608030
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C17H19N3O4/c1-9-13(14(19-24-9)17(2,3)4)15(21)18-10-6-7-12-11(8-10)20(5)16(22)23-12/h6-8H,1-5H3,(H,18,21)
InChIKeyMLHNYLAGJFKINL-UHFFFAOYSA-N
XLogP2.98
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-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

2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424770
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424
3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110609669
3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110613763
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110608029
3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110611034
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 86881850
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
CID 23505699
3-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide (CID 110608030) is 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)Nc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is MLHNYLAGJFKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-9-13(14(19-24-9)17(2,3)4)15(21)18-10-6-7-12-11(8-10)20(5)16(22)23-12/h6-8H,1-5H3,(H,18,21).
What are the key properties of 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110608030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).