N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C16H16N4O3 — CID 110742410

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2nc3ccccc3[nH]c2=O)no1
InChIInChI=1S/C16H16N4O3/c1-10-8-11(20-23-10)9-17-15(21)7-6-14-16(22)19-13-5-3-2-4-12(13)18-14/h2-5,8H,6-7,9H2,1H3,(H,17,21)(H,19,22)
InChIKeyPVOYQVYJDLSEJC-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.47
Rot. Bonds5

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110742410) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110742410
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2nc3ccccc3[nH]c2=O)no1
InChIInChI=1S/C16H16N4O3/c1-10-8-11(20-23-10)9-17-15(21)7-6-14-16(22)19-13-5-3-2-4-12(13)18-14/h2-5,8H,6-7,9H2,1H3,(H,17,21)(H,19,22)
InChIKeyPVOYQVYJDLSEJC-UHFFFAOYSA-N
XLogP1.47
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide with MolForge

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Related Compounds

3-(3-oxo-4H-quinoxalin-2-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 72925671
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CID 110671148
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
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3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
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N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72931706
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110745205
N-(1H-indol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
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N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742757
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110742410) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is Cc1cc(CNC(=O)CCc2nc3ccccc3[nH]c2=O)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is PVOYQVYJDLSEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-8-11(20-23-10)9-17-15(21)7-6-14-16(22)19-13-5-3-2-4-12(13)18-14/h2-5,8H,6-7,9H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 312.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110742410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).