N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide

C18H15N3O5 — CID 126646087

IUPACN-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCc1ccc2nc(CN3C(=O)COc4ccc(C(=O)NO)cc43)oc2c1
InChIInChI=1S/C18H15N3O5/c1-10-2-4-12-15(6-10)26-16(19-12)8-21-13-7-11(18(23)20-24)3-5-14(13)25-9-17(21)22/h2-7,24H,8-9H2,1H3,(H,20,23)
InChIKeyZMTCBCDKDZRBOI-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.18
Rot. Bonds3

About N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide

N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126646087) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126646087
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC NameN-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCc1ccc2nc(CN3C(=O)COc4ccc(C(=O)NO)cc43)oc2c1
InChIInChI=1S/C18H15N3O5/c1-10-2-4-12-15(6-10)26-16(19-12)8-21-13-7-11(18(23)20-24)3-5-14(13)25-9-17(21)22/h2-7,24H,8-9H2,1H3,(H,20,23)
InChIKeyZMTCBCDKDZRBOI-UHFFFAOYSA-N
XLogP2.18
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126678159
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-6-propanoyl-1,4-benzoxazin-3-one
CID 148825932
N-hydroxy-3-oxo-4-(quinolin-6-ylmethyl)-1,4-benzoxazine-6-carboxamide
CID 126645525
4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645661
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
N-hydroxy-3-oxo-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-benzoxazine-6-carboxamide
CID 126645857
N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645529
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
4-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645531
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
4-[(2-fluoro-4-methoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646017

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126646087) is N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide is Cc1ccc2nc(CN3C(=O)COc4ccc(C(=O)NO)cc43)oc2c1.
What is the InChIKey of N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is ZMTCBCDKDZRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-10-2-4-12-15(6-10)26-16(19-12)8-21-13-7-11(18(23)20-24)3-5-14(13)25-9-17(21)22/h2-7,24H,8-9H2,1H3,(H,20,23).
What are the key properties of N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126646087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).