N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide

C17H19N3O3 — CID 166668546

IUPACN-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1ccccc1NC1Nc2cc(C(=O)NO)ccc2O1
InChIInChI=1S/C17H19N3O3/c1-10(2)12-5-3-4-6-13(12)18-17-19-14-9-11(16(21)20-22)7-8-15(14)23-17/h3-10,17-19,22H,1-2H3,(H,20,21)
InChIKeyBBZBZPTZOZHHJN-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.13
Rot. Bonds4

About N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide

N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide (PubChem CID 166668546) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide
PubChem CID166668546
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1ccccc1NC1Nc2cc(C(=O)NO)ccc2O1
InChIInChI=1S/C17H19N3O3/c1-10(2)12-5-3-4-6-13(12)18-17-19-14-9-11(16(21)20-22)7-8-15(14)23-17/h3-10,17-19,22H,1-2H3,(H,20,21)
InChIKeyBBZBZPTZOZHHJN-UHFFFAOYSA-N
XLogP3.13
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668496
2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668531
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668504
2-methyl-3-oxo-N-(2-propan-2-ylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 16618740
N-hydroxy-2-propan-2-ylbenzamide
CID 147875920
4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
CID 47421830
4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668499
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 73301125
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide (CID 166668546) is N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide is CC(C)c1ccccc1NC1Nc2cc(C(=O)NO)ccc2O1.
What is the InChIKey of N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The InChIKey is BBZBZPTZOZHHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10(2)12-5-3-4-6-13(12)18-17-19-14-9-11(16(21)20-22)7-8-15(14)23-17/h3-10,17-19,22H,1-2H3,(H,20,21).
What are the key properties of N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 166668546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).