N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide

C22H21N3O3 — CID 95053292

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1
InChIInChI=1S/C22H21N3O3/c26-22(23-14-19-10-5-11-27-19)17-7-4-6-16(12-17)20-13-21(25-15-24-20)28-18-8-2-1-3-9-18/h1-4,6-9,12-13,15,19H,5,10-11,14H2,(H,23,26)/t19-/m0/s1
InChIKeyBEMQHNKHDURZPR-IBGZPJMESA-N
MW375.43 g/mol
LogP3.84
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide

N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide (PubChem CID 95053292) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
PubChem CID95053292
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1
InChIInChI=1S/C22H21N3O3/c26-22(23-14-19-10-5-11-27-19)17-7-4-6-16(12-17)20-13-21(25-15-24-20)28-18-8-2-1-3-9-18/h1-4,6-9,12-13,15,19H,5,10-11,14H2,(H,23,26)/t19-/m0/s1
InChIKeyBEMQHNKHDURZPR-IBGZPJMESA-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-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011541
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
CID 92882462
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
N-(oxolan-2-ylmethyl)-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983005
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 50783456
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide (CID 95053292) is N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide is O=C(NC[C@@H]1CCCO1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide?
The InChIKey is BEMQHNKHDURZPR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(23-14-19-10-5-11-27-19)17-7-4-6-16(12-17)20-13-21(25-15-24-20)28-18-8-2-1-3-9-18/h1-4,6-9,12-13,15,19H,5,10-11,14H2,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide 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-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 95053292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).