N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide

C17H17N3O4 — CID 146475027

IUPACN-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1coc(=O)[nH]1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H17N3O4/c1-9(2)13(20-16(22)12-8-24-17(23)19-12)11-6-5-10-4-3-7-18-14(10)15(11)21/h3-9,13,21H,1-2H3,(H,19,23)(H,20,22)
InChIKeyZRZKSJJCOQTOJM-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.35
Rot. Bonds4

About N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide

N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide (PubChem CID 146475027) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide
PubChem CID146475027
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1coc(=O)[nH]1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H17N3O4/c1-9(2)13(20-16(22)12-8-24-17(23)19-12)11-6-5-10-4-3-7-18-14(10)15(11)21/h3-9,13,21H,1-2H3,(H,19,23)(H,20,22)
InChIKeyZRZKSJJCOQTOJM-UHFFFAOYSA-N
XLogP2.35
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]carbamoyl]-1H-pyrrole-3-sulfonyl fluoride
CID 146475007
(E)-3-amino-N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-methanimidoylprop-2-enamide
CID 146475061
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233038
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide (CID 146475027) is N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide is CC(C)C(NC(=O)c1coc(=O)[nH]1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide?
The InChIKey is ZRZKSJJCOQTOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9(2)13(20-16(22)12-8-24-17(23)19-12)11-6-5-10-4-3-7-18-14(10)15(11)21/h3-9,13,21H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide?
N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-hydroxyquinolin-7-yl)-2-methylpropyl]-2-oxo-3H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146475027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).