N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide

C17H19N3O3 — CID 122301497

IUPACN-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
SMILESCOc1ncc(NC(=O)C2(c3ccccc3)CCOCC2)cn1
InChIInChI=1S/C17H19N3O3/c1-22-16-18-11-14(12-19-16)20-15(21)17(7-9-23-10-8-17)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyGSDYNVIUMMTRPZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.17
Rot. Bonds4

About N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide

N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide (PubChem CID 122301497) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
PubChem CID122301497
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
SMILESCOc1ncc(NC(=O)C2(c3ccccc3)CCOCC2)cn1
InChIInChI=1S/C17H19N3O3/c1-22-16-18-11-14(12-19-16)20-15(21)17(7-9-23-10-8-17)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyGSDYNVIUMMTRPZ-UHFFFAOYSA-N
XLogP2.17
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-phenyloxane-4-carboxamide
CID 122299702
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-(6-methoxy-5-methyl-3-pyridinyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100772258
ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 90565111
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
CID 71937459
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide (CID 122301497) is N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide is COc1ncc(NC(=O)C2(c3ccccc3)CCOCC2)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is GSDYNVIUMMTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-16-18-11-14(12-19-16)20-15(21)17(7-9-23-10-8-17)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21).
What are the key properties of N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide?
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 122301497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).