N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide

C24H24N4O6 — CID 91598469

IUPACN-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(COc2ccc(C3=C(CCC(=O)NO)C(C(=O)NO)ON3)cc2)c2ccccc2n1
InChIInChI=1S/C24H24N4O6/c1-14-12-16(18-4-2-3-5-20(18)25-14)13-33-17-8-6-15(7-9-17)22-19(10-11-21(29)26-31)23(34-28-22)24(30)27-32/h2-9,12,23,28,31-32H,10-11,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyOMBBLSGIFSRAFZ-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.53
Rot. Bonds8

About N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide

N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 91598469) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID91598469
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC NameN-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(COc2ccc(C3=C(CCC(=O)NO)C(C(=O)NO)ON3)cc2)c2ccccc2n1
InChIInChI=1S/C24H24N4O6/c1-14-12-16(18-4-2-3-5-20(18)25-14)13-33-17-8-6-15(7-9-17)22-19(10-11-21(29)26-31)23(34-28-22)24(30)27-32/h2-9,12,23,28,31-32H,10-11,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyOMBBLSGIFSRAFZ-UHFFFAOYSA-N
XLogP2.53
TPSA142.04 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 91598469) is N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cc(COc2ccc(C3=C(CCC(=O)NO)C(C(=O)NO)ON3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OMBBLSGIFSRAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-14-12-16(18-4-2-3-5-20(18)25-14)13-33-17-8-6-15(7-9-17)22-19(10-11-21(29)26-31)23(34-28-22)24(30)27-32/h2-9,12,23,28,31-32H,10-11,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91598469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).