N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide

C22H21N3O3 — CID 53011541

IUPACN-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESO=C(NCC1CCCO1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C22H21N3O3/c26-22(23-14-19-10-5-11-27-19)17-8-4-9-18(12-17)28-21-13-20(24-15-25-21)16-6-2-1-3-7-16/h1-4,6-9,12-13,15,19H,5,10-11,14H2,(H,23,26)
InChIKeyUTDZFTCLFCZQOA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.84
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide

N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide (PubChem CID 53011541) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
PubChem CID53011541
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESO=C(NCC1CCCO1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C22H21N3O3/c26-22(23-14-19-10-5-11-27-19)17-8-4-9-18(12-17)28-21-13-20(24-15-25-21)16-6-2-1-3-7-16/h1-4,6-9,12-13,15,19H,5,10-11,14H2,(H,23,26)
InChIKeyUTDZFTCLFCZQOA-UHFFFAOYSA-N
XLogP3.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
CID 95053292
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
CID 92882462
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-(oxolan-2-ylmethyl)-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983005
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide (CID 53011541) is N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide is O=C(NCC1CCCO1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The InChIKey is UTDZFTCLFCZQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(23-14-19-10-5-11-27-19)17-8-4-9-18(12-17)28-21-13-20(24-15-25-21)16-6-2-1-3-7-16/h1-4,6-9,12-13,15,19H,5,10-11,14H2,(H,23,26).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide has a molecular weight of 375.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 53011541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).