N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide

C17H21N3O3 — CID 142035070

IUPACN-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide
SMILESCN1N=C(c2ccc(NC(=O)C3CCCCC3)cc2)COC1=O
InChIInChI=1S/C17H21N3O3/c1-20-17(22)23-11-15(19-20)12-7-9-14(10-8-12)18-16(21)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21)
InChIKeyJRZUYQOLTKLLGA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.99
Rot. Bonds3

About N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide

N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide (PubChem CID 142035070) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide
PubChem CID142035070
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide
SMILESCN1N=C(c2ccc(NC(=O)C3CCCCC3)cc2)COC1=O
InChIInChI=1S/C17H21N3O3/c1-20-17(22)23-11-15(19-20)12-7-9-14(10-8-12)18-16(21)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21)
InChIKeyJRZUYQOLTKLLGA-UHFFFAOYSA-N
XLogP2.99
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 23768234
N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide
CID 59715135
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(2-bromo-2-methylpropanoyl)phenyl]cyclohexanecarboxamide
CID 82258980
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110735497
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide (CID 142035070) is N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide is CN1N=C(c2ccc(NC(=O)C3CCCCC3)cc2)COC1=O.
What is the InChIKey of N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is JRZUYQOLTKLLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-17(22)23-11-15(19-20)12-7-9-14(10-8-12)18-16(21)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21).
What are the key properties of N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide?
N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 142035070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).