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

C23H24N4O2 — CID 51584655

IUPAC(1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)on1
InChIInChI=1S/C23H24N4O2/c1-15-12-21(29-27-15)20-14-24-16(2)26-22(20)18-10-8-17(9-11-18)13-25-23(28)19-6-4-3-5-7-19/h3-4,8-12,14,19H,5-7,13H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeySEMJAUBFQZUPFU-IBGZPJMESA-N
MW388.47 g/mol
LogP4.39
Rot. Bonds5

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

(1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 51584655) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID51584655
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)on1
InChIInChI=1S/C23H24N4O2/c1-15-12-21(29-27-15)20-14-24-16(2)26-22(20)18-10-8-17(9-11-18)13-25-23(28)19-6-4-3-5-7-19/h3-4,8-12,14,19H,5-7,13H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeySEMJAUBFQZUPFU-IBGZPJMESA-N
XLogP4.39
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (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) is (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)on1.
What is the InChIKey of (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is SEMJAUBFQZUPFU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-12-21(29-27-15)20-14-24-16(2)26-22(20)18-10-8-17(9-11-18)13-25-23(28)19-6-4-3-5-7-19/h3-4,8-12,14,19H,5-7,13H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51584655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).