N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide

C26H28N4O4 — CID 10479371

IUPACN-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide
SMILESCc1cc(COc2ccc(C3=NOC(C4(CC(=O)NO)CCNC4)C3)cc2)c2ccccc2n1
InChIInChI=1S/C26H28N4O4/c1-17-12-19(21-4-2-3-5-22(21)28-17)15-33-20-8-6-18(7-9-20)23-13-24(34-30-23)26(10-11-27-16-26)14-25(31)29-32/h2-9,12,24,27,32H,10-11,13-16H2,1H3,(H,29,31)
InChIKeyYHHVXSZMUIKRNJ-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.49
Rot. Bonds7

About N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide

N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide (PubChem CID 10479371) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide
PubChem CID10479371
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide
SMILESCc1cc(COc2ccc(C3=NOC(C4(CC(=O)NO)CCNC4)C3)cc2)c2ccccc2n1
InChIInChI=1S/C26H28N4O4/c1-17-12-19(21-4-2-3-5-22(21)28-17)15-33-20-8-6-18(7-9-20)23-13-24(34-30-23)26(10-11-27-16-26)14-25(31)29-32/h2-9,12,24,27,32H,10-11,13-16H2,1H3,(H,29,31)
InChIKeyYHHVXSZMUIKRNJ-UHFFFAOYSA-N
XLogP3.49
TPSA105.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide (CID 10479371) is N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide is Cc1cc(COc2ccc(C3=NOC(C4(CC(=O)NO)CCNC4)C3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is YHHVXSZMUIKRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-17-12-19(21-4-2-3-5-22(21)28-17)15-33-20-8-6-18(7-9-20)23-13-24(34-30-23)26(10-11-27-16-26)14-25(31)29-32/h2-9,12,24,27,32H,10-11,13-16H2,1H3,(H,29,31).
What are the key properties of N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide?
N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 10479371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).