N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C18H25N5O3 — CID 164632658

IUPACN-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)nc(C)nc1N1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1
InChIInChI=1S/C18H25N5O3/c1-5-13-11(3)19-12(4)20-17(13)23-7-6-14(16(24)9-23)21-18(25)15-8-10(2)26-22-15/h8,14,16,24H,5-7,9H2,1-4H3,(H,21,25)/t14-,16-/m0/s1
InChIKeyGDXSFETUWTZKTM-HOCLYGCPSA-N
MW359.43 g/mol
LogP1.32
Rot. Bonds4

About N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 164632658) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID164632658
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)nc(C)nc1N1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1
InChIInChI=1S/C18H25N5O3/c1-5-13-11(3)19-12(4)20-17(13)23-7-6-14(16(24)9-23)21-18(25)15-8-10(2)26-22-15/h8,14,16,24H,5-7,9H2,1-4H3,(H,21,25)/t14-,16-/m0/s1
InChIKeyGDXSFETUWTZKTM-HOCLYGCPSA-N
XLogP1.32
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 164632658) is N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is CCc1c(C)nc(C)nc1N1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1.
What is the InChIKey of N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GDXSFETUWTZKTM-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-5-13-11(3)19-12(4)20-17(13)23-7-6-14(16(24)9-23)21-18(25)15-8-10(2)26-22-15/h8,14,16,24H,5-7,9H2,1-4H3,(H,21,25)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164632658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).