N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

C17H23N5O3 — CID 124998894

IUPACN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ocnc3C)C2)ncn1
InChIInChI=1S/C17H23N5O3/c1-12-7-14(19-10-18-12)22-6-4-5-17(24,9-22)8-21(3)16(23)15-13(2)20-11-25-15/h7,10-11,24H,4-6,8-9H2,1-3H3/t17-/m0/s1
InChIKeyRLCHZZPFUVWNMJ-KRWDZBQOSA-N
MW345.40 g/mol
LogP1.18
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 124998894) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID124998894
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ocnc3C)C2)ncn1
InChIInChI=1S/C17H23N5O3/c1-12-7-14(19-10-18-12)22-6-4-5-17(24,9-22)8-21(3)16(23)15-13(2)20-11-25-15/h7,10-11,24H,4-6,8-9H2,1-3H3/t17-/m0/s1
InChIKeyRLCHZZPFUVWNMJ-KRWDZBQOSA-N
XLogP1.18
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (CID 124998894) is N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ocnc3C)C2)ncn1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is RLCHZZPFUVWNMJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-7-14(19-10-18-12)22-6-4-5-17(24,9-22)8-21(3)16(23)15-13(2)20-11-25-15/h7,10-11,24H,4-6,8-9H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 124998894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).