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

C27H31N5O4 — CID 91040055

IUPACN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESCc1cc(COc2ccc(C(C3=CC(CC(=O)NO)ON3)C3CNCCN3)cc2)c2ccccc2n1
InChIInChI=1S/C27H31N5O4/c1-17-12-19(22-4-2-3-5-23(22)30-17)16-35-20-8-6-18(7-9-20)27(25-15-28-10-11-29-25)24-13-21(36-32-24)14-26(33)31-34/h2-9,12-13,21,25,27-29,32,34H,10-11,14-16H2,1H3,(H,31,33)
InChIKeyZUPWIDLPLNJRIK-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.45
Rot. Bonds8

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

N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide (PubChem CID 91040055) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide
PubChem CID91040055
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC NameN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESCc1cc(COc2ccc(C(C3=CC(CC(=O)NO)ON3)C3CNCCN3)cc2)c2ccccc2n1
InChIInChI=1S/C27H31N5O4/c1-17-12-19(22-4-2-3-5-23(22)30-17)16-35-20-8-6-18(7-9-20)27(25-15-28-10-11-29-25)24-13-21(36-32-24)14-26(33)31-34/h2-9,12-13,21,25,27-29,32,34H,10-11,14-16H2,1H3,(H,31,33)
InChIKeyZUPWIDLPLNJRIK-UHFFFAOYSA-N
XLogP2.45
TPSA116.77 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.45
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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Related Compounds

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
N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
CID 10181303
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
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
2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
CID 22616989
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
N-[(3S,4S)-4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutyl)pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 139969207
N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide
CID 10070702
3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 90787584
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-hydroxy-2-[(3S)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetamide
CID 25116790

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide (CID 91040055) is N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide is Cc1cc(COc2ccc(C(C3=CC(CC(=O)NO)ON3)C3CNCCN3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
The InChIKey is ZUPWIDLPLNJRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-17-12-19(22-4-2-3-5-23(22)30-17)16-35-20-8-6-18(7-9-20)27(25-15-28-10-11-29-25)24-13-21(36-32-24)14-26(33)31-34/h2-9,12-13,21,25,27-29,32,34H,10-11,14-16H2,1H3,(H,31,33).
What are the key properties of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 2.45, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 91040055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).