[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone

C20H26N2O2 — CID 97147383

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)on1
InChIInChI=1S/C20H26N2O2/c1-15(2)13-18-14-19(24-21-18)20(23)22-11-6-9-17(10-12-22)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t17-/m1/s1
InChIKeyGATCGAUEEQWWQE-QGZVFWFLSA-N
MW326.44 g/mol
LogP4.28
Rot. Bonds4

About [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone (PubChem CID 97147383) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone
PubChem CID97147383
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)on1
InChIInChI=1S/C20H26N2O2/c1-15(2)13-18-14-19(24-21-18)20(23)22-11-6-9-17(10-12-22)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t17-/m1/s1
InChIKeyGATCGAUEEQWWQE-QGZVFWFLSA-N
XLogP4.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 56914040
(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 70727364
3-[4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]benzoic acid
CID 72839502
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 110105993
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
methyl 1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 50963151
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
[(1S,5R)-6-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-phenylmethanone
CID 72867738
(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
CID 138009834
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 70740173
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124988560

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone (CID 97147383) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)on1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone?
The InChIKey is GATCGAUEEQWWQE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)13-18-14-19(24-21-18)20(23)22-11-6-9-17(10-12-22)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t17-/m1/s1.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone is sourced from PubChem (CID 97147383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).