N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide

C24H25N3O4 — CID 10070702

IUPACN-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide
SMILESCc1cc(COc2ccc(C3=NOC(C)(CCC(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-16-13-18(20-5-3-4-6-21(20)25-16)15-30-19-9-7-17(8-10-19)22-14-24(2,31-27-22)12-11-23(28)26-29/h3-10,13,29H,11-12,14-15H2,1-2H3,(H,26,28)
InChIKeyWRBFVMJWKYCLGB-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.29
Rot. Bonds7

About N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide

N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide (PubChem CID 10070702) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide
PubChem CID10070702
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide
SMILESCc1cc(COc2ccc(C3=NOC(C)(CCC(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-16-13-18(20-5-3-4-6-21(20)25-16)15-30-19-9-7-17(8-10-19)22-14-24(2,31-27-22)12-11-23(28)26-29/h3-10,13,29H,11-12,14-15H2,1-2H3,(H,26,28)
InChIKeyWRBFVMJWKYCLGB-UHFFFAOYSA-N
XLogP4.29
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.29
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

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-[3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyrrolidin-3-yl]acetamide
CID 10479371
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
5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde
CID 131725997
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate
CID 69288385
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10051573
2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
CID 22032786
N-[3-[2-(hydroxyamino)-2-oxoethyl]thian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10457222
methyl 3-[2-(hydroxyamino)-2-oxoethyl]-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidine-1-carboxylate
CID 130273576
N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide
CID 10186544
N-[1-[2-(hydroxyamino)-2-oxoethyl]cycloheptyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18379321

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide (CID 10070702) is N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide is Cc1cc(COc2ccc(C3=NOC(C)(CCC(=O)NO)C3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide?
The InChIKey is WRBFVMJWKYCLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-13-18(20-5-3-4-6-21(20)25-16)15-30-19-9-7-17(8-10-19)22-14-24(2,31-27-22)12-11-23(28)26-29/h3-10,13,29H,11-12,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide?
N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide has a molecular weight of 419.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 10070702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).