4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide

C24H25N3O2 — CID 91813405

IUPAC4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCc1cnc(-c2ccccc2)nc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H25N3O2/c28-23(24(12-15-29-16-13-24)21-9-5-2-6-10-21)25-14-11-19-17-26-22(27-18-19)20-7-3-1-4-8-20/h1-10,17-18H,11-16H2,(H,25,28)
InChIKeyKEORSVIGNFTXGJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.55
Rot. Bonds6

About 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide

4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide (PubChem CID 91813405) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide
PubChem CID91813405
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCc1cnc(-c2ccccc2)nc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H25N3O2/c28-23(24(12-15-29-16-13-24)21-9-5-2-6-10-21)25-14-11-19-17-26-22(27-18-19)20-7-3-1-4-8-20/h1-10,17-18H,11-16H2,(H,25,28)
InChIKeyKEORSVIGNFTXGJ-UHFFFAOYSA-N
XLogP3.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91813402
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860
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CID 119547579
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
CID 119106237
N-[3-[acetyl(ethyl)amino]propyl]-4-phenyloxane-4-carboxamide
CID 51090712
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
CID 56763634
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide (CID 91813405) is 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide is O=C(NCCc1cnc(-c2ccccc2)nc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide?
The InChIKey is KEORSVIGNFTXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(24(12-15-29-16-13-24)21-9-5-2-6-10-21)25-14-11-19-17-26-22(27-18-19)20-7-3-1-4-8-20/h1-10,17-18H,11-16H2,(H,25,28).
What are the key properties of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide?
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 91813405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).