5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide

C17H17N3O3 — CID 137260099

IUPAC5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)no1
InChIInChI=1S/C17H17N3O3/c1-9(2)13-8-16(21)19-14-7-11(4-5-12(13)14)18-17(22)15-6-10(3)23-20-15/h4-9,12H,1-3H3,(H,19,21)/b18-11+
InChIKeyQATREAWDDQEWIJ-WOJGMQOQSA-N
MW311.34 g/mol
LogP2.35
Rot. Bonds2

About 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide

5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide (PubChem CID 137260099) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide
PubChem CID137260099
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)no1
InChIInChI=1S/C17H17N3O3/c1-9(2)13-8-16(21)19-14-7-11(4-5-12(13)14)18-17(22)15-6-10(3)23-20-15/h4-9,12H,1-3H3,(H,19,21)/b18-11+
InChIKeyQATREAWDDQEWIJ-WOJGMQOQSA-N
XLogP2.35
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide (CID 137260099) is 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)no1.
What is the InChIKey of 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
The InChIKey is QATREAWDDQEWIJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-9(2)13-8-16(21)19-14-7-11(4-5-12(13)14)18-17(22)15-6-10(3)23-20-15/h4-9,12H,1-3H3,(H,19,21)/b18-11+.
What are the key properties of 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 137260099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).