N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C16H20N4O2 — CID 91023722

IUPACN-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCCCNC(=O)c1cc2c(c(-c3ncco3)c1)NCCN2
InChIInChI=1S/C16H20N4O2/c1-2-3-4-19-15(21)11-9-12(16-20-7-8-22-16)14-13(10-11)17-5-6-18-14/h7-10,17-18H,2-6H2,1H3,(H,19,21)
InChIKeyVQVZVRNHAXPEDF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.71
Rot. Bonds5

About N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 91023722) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID91023722
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCCCNC(=O)c1cc2c(c(-c3ncco3)c1)NCCN2
InChIInChI=1S/C16H20N4O2/c1-2-3-4-19-15(21)11-9-12(16-20-7-8-22-16)14-13(10-11)17-5-6-18-14/h7-10,17-18H,2-6H2,1H3,(H,19,21)
InChIKeyVQVZVRNHAXPEDF-UHFFFAOYSA-N
XLogP2.71
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 91023722) is N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CCCCNC(=O)c1cc2c(c(-c3ncco3)c1)NCCN2.
What is the InChIKey of N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is VQVZVRNHAXPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-3-4-19-15(21)11-9-12(16-20-7-8-22-16)14-13(10-11)17-5-6-18-14/h7-10,17-18H,2-6H2,1H3,(H,19,21).
What are the key properties of N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-(1,3-oxazol-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 91023722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).