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

C16H16N4O3 — CID 110671148

IUPACN-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1ncoc1CNC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H16N4O3/c1-10-14(23-9-18-10)8-17-15(21)7-6-13-16(22)20-12-5-3-2-4-11(12)19-13/h2-5,9H,6-8H2,1H3,(H,17,21)(H,20,22)
InChIKeyKIOBMBPMYBXIIX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.47
Rot. Bonds5

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

N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110671148) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110671148
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1ncoc1CNC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H16N4O3/c1-10-14(23-9-18-10)8-17-15(21)7-6-13-16(22)20-12-5-3-2-4-11(12)19-13/h2-5,9H,6-8H2,1H3,(H,17,21)(H,20,22)
InChIKeyKIOBMBPMYBXIIX-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

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742410
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 72925671
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
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-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-naphthalen-1-ylpropanamide
CID 167825677
N-(1H-indol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110673247
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
CID 72895193

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110671148) is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is Cc1ncoc1CNC(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is KIOBMBPMYBXIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-14(23-9-18-10)8-17-15(21)7-6-13-16(22)20-12-5-3-2-4-11(12)19-13/h2-5,9H,6-8H2,1H3,(H,17,21)(H,20,22).
What are the key properties of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(4-methyl-1,3-oxazol-5-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-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110671148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).