(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide

C16H17N3O2 — CID 119050857

IUPAC(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C16H17N3O2/c1-11-7-8-21-14(11)15(20)19-16-17-9-13(10-18-16)12-5-3-2-4-6-12/h2-6,9-11,14H,7-8H2,1H3,(H,17,18,19,20)/t11-,14+/m1/s1
InChIKeyUWMFOIULLXVAAL-RISCZKNCSA-N
MW283.33 g/mol
LogP2.51
Rot. Bonds3

About (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide

(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide (PubChem CID 119050857) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide
PubChem CID119050857
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C16H17N3O2/c1-11-7-8-21-14(11)15(20)19-16-17-9-13(10-18-16)12-5-3-2-4-6-12/h2-6,9-11,14H,7-8H2,1H3,(H,17,18,19,20)/t11-,14+/m1/s1
InChIKeyUWMFOIULLXVAAL-RISCZKNCSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
(2R)-2-[(3-methyloxolane-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901954
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
N-(1H-indazol-3-yl)-3-methyloxolane-2-carboxamide
CID 81450034
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790
N-(5-phenylpyrimidin-2-yl)benzamide
CID 71415986
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 124851759
3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide (CID 119050857) is (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide is C[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(-c2ccccc2)cn1.
What is the InChIKey of (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide?
The InChIKey is UWMFOIULLXVAAL-RISCZKNCSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-7-8-21-14(11)15(20)19-16-17-9-13(10-18-16)12-5-3-2-4-6-12/h2-6,9-11,14H,7-8H2,1H3,(H,17,18,19,20)/t11-,14+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide?
(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 119050857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).