N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

C25H31N5O — CID 10093433

IUPACN-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C25H31N5O/c1-4-10-19(11-5-1)24-23(22(31-29-24)18-30-16-8-3-9-17-30)21-14-15-26-25(28-21)27-20-12-6-2-7-13-20/h1,4-5,10-11,14-15,20H,2-3,6-9,12-13,16-18H2,(H,26,27,28)
InChIKeyKJRYEDFCBDQQSC-UHFFFAOYSA-N
MW417.56 g/mol
LogP5.53
Rot. Bonds6

About N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (PubChem CID 10093433) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
PubChem CID10093433
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C25H31N5O/c1-4-10-19(11-5-1)24-23(22(31-29-24)18-30-16-8-3-9-17-30)21-14-15-26-25(28-21)27-20-12-6-2-7-13-20/h1,4-5,10-11,14-15,20H,2-3,6-9,12-13,16-18H2,(H,26,27,28)
InChIKeyKJRYEDFCBDQQSC-UHFFFAOYSA-N
XLogP5.53
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine 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 N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (CID 10093433) is N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is c1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The InChIKey is KJRYEDFCBDQQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-4-10-19(11-5-1)24-23(22(31-29-24)18-30-16-8-3-9-17-30)21-14-15-26-25(28-21)27-20-12-6-2-7-13-20/h1,4-5,10-11,14-15,20H,2-3,6-9,12-13,16-18H2,(H,26,27,28).
What are the key properties of N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine has a molecular weight of 417.56 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10093433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).