N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide

C18H22N4O2 — CID 110215823

IUPACN-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cnc(C)nc2CCNC(=O)C2CC=CCC2)on1
InChIInChI=1S/C18H22N4O2/c1-12-10-17(24-22-12)15-11-20-13(2)21-16(15)8-9-19-18(23)14-6-4-3-5-7-14/h3-4,10-11,14H,5-9H2,1-2H3,(H,19,23)
InChIKeyPXQFPVNURVUWNA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds5

About N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide

N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 110215823) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID110215823
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cnc(C)nc2CCNC(=O)C2CC=CCC2)on1
InChIInChI=1S/C18H22N4O2/c1-12-10-17(24-22-12)15-11-20-13(2)21-16(15)8-9-19-18(23)14-6-4-3-5-7-14/h3-4,10-11,14H,5-9H2,1-2H3,(H,19,23)
InChIKeyPXQFPVNURVUWNA-UHFFFAOYSA-N
XLogP2.76
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 51584655
N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 110238892
N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110215824
N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 110238914
(1S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 95986255
3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 46967270
(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124754580
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide
CID 92554601
(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
CID 136782473
N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 47045402
2-cyclohexyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 98134399

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide (CID 110215823) is N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide is Cc1cc(-c2cnc(C)nc2CCNC(=O)C2CC=CCC2)on1.
What is the InChIKey of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is PXQFPVNURVUWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-10-17(24-22-12)15-11-20-13(2)21-16(15)8-9-19-18(23)14-6-4-3-5-7-14/h3-4,10-11,14H,5-9H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 110215823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).