N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide

C19H13ClN4O2 — CID 91795068

IUPACN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cc(-c2cccc(Cl)c2)no1)c1cnc2ccccc2n1
InChIInChI=1S/C19H13ClN4O2/c20-13-5-3-4-12(8-13)17-9-14(26-24-17)10-22-19(25)18-11-21-15-6-1-2-7-16(15)23-18/h1-9,11H,10H2,(H,22,25)
InChIKeySLTZEOPNBVHSTR-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.87
Rot. Bonds4

About N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide (PubChem CID 91795068) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
PubChem CID91795068
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cc(-c2cccc(Cl)c2)no1)c1cnc2ccccc2n1
InChIInChI=1S/C19H13ClN4O2/c20-13-5-3-4-12(8-13)17-9-14(26-24-17)10-22-19(25)18-11-21-15-6-1-2-7-16(15)23-18/h1-9,11H,10H2,(H,22,25)
InChIKeySLTZEOPNBVHSTR-UHFFFAOYSA-N
XLogP3.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 46949495
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide
CID 91837025
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 11696940
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
CID 90599898
5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 110908974
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-3-chlorothiophene-2-carboxamide
CID 91218948
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide (CID 91795068) is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide is O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1cnc2ccccc2n1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide?
The InChIKey is SLTZEOPNBVHSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-13-5-3-4-12(8-13)17-9-14(26-24-17)10-22-19(25)18-11-21-15-6-1-2-7-16(15)23-18/h1-9,11H,10H2,(H,22,25).
What are the key properties of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide?
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 91795068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).