cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide

C26H27N3O4 — CID 87928243

IUPACcis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(C3=NOC([C@H]4CCC[C@H]4C(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C26H27N3O4/c1-16-13-18(20-5-2-3-8-23(20)27-16)15-32-19-11-9-17(10-12-19)24-14-25(33-29-24)21-6-4-7-22(21)26(30)28-31/h2-3,5,8-13,21-22,25,31H,4,6-7,14-15H2,1H3,(H,28,30)/t21-,22+,25?/m0/s1
InChIKeyNYKUGCJOSYKNLA-FQTTXOOSSA-N
MW445.52 g/mol
LogP4.54
Rot. Bonds6

About cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide

cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide (PubChem CID 87928243) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide
PubChem CID87928243
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Namecis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(C3=NOC([C@H]4CCC[C@H]4C(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C26H27N3O4/c1-16-13-18(20-5-2-3-8-23(20)27-16)15-32-19-11-9-17(10-12-19)24-14-25(33-29-24)21-6-4-7-22(21)26(30)28-31/h2-3,5,8-13,21-22,25,31H,4,6-7,14-15H2,1H3,(H,28,30)/t21-,22+,25?/m0/s1
InChIKeyNYKUGCJOSYKNLA-FQTTXOOSSA-N
XLogP4.54
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.54
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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide (CID 87928243) is cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide is Cc1cc(COc2ccc(C3=NOC([C@H]4CCC[C@H]4C(=O)NO)C3)cc2)c2ccccc2n1.
What is the InChIKey of cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide?
The InChIKey is NYKUGCJOSYKNLA-FQTTXOOSSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16-13-18(20-5-2-3-8-23(20)27-16)15-32-19-11-9-17(10-12-19)24-14-25(33-29-24)21-6-4-7-22(21)26(30)28-31/h2-3,5,8-13,21-22,25,31H,4,6-7,14-15H2,1H3,(H,28,30)/t21-,22+,25?/m0/s1.
What are the key properties of cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide?
cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 87928243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).