N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide

C18H16N6O2 — CID 57422310

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccc3nccnc3c2)cn1
InChIInChI=1S/C18H16N6O2/c1-11-15(12(2)26-23-11)10-24-9-14(8-21-24)22-18(25)13-3-4-16-17(7-13)20-6-5-19-16/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyWLUCMPPBIDEQCV-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.73
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide (PubChem CID 57422310) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide
PubChem CID57422310
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccc3nccnc3c2)cn1
InChIInChI=1S/C18H16N6O2/c1-11-15(12(2)26-23-11)10-24-9-14(8-21-24)22-18(25)13-3-4-16-17(7-13)20-6-5-19-16/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyWLUCMPPBIDEQCV-UHFFFAOYSA-N
XLogP2.73
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide (CID 57422310) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide is Cc1noc(C)c1Cn1cc(NC(=O)c2ccc3nccnc3c2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide?
The InChIKey is WLUCMPPBIDEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11-15(12(2)26-23-11)10-24-9-14(8-21-24)22-18(25)13-3-4-16-17(7-13)20-6-5-19-16/h3-9H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 57422310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).