1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one

C19H24N2O2 — CID 110649497

IUPAC1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
SMILESCc1oc(-c2ccccc2)nc1CCC(=O)N1CCCCCC1
InChIInChI=1S/C19H24N2O2/c1-15-17(20-19(23-15)16-9-5-4-6-10-16)11-12-18(22)21-13-7-2-3-8-14-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3
InChIKeyBYQYXJKILWFLNK-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.99
Rot. Bonds4

About 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one

1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one (PubChem CID 110649497) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
PubChem CID110649497
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
SMILESCc1oc(-c2ccccc2)nc1CCC(=O)N1CCCCCC1
InChIInChI=1S/C19H24N2O2/c1-15-17(20-19(23-15)16-9-5-4-6-10-16)11-12-18(22)21-13-7-2-3-8-14-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3
InChIKeyBYQYXJKILWFLNK-UHFFFAOYSA-N
XLogP3.99
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110647873
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110407680
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
1-(azepan-1-yl)-2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone
CID 122175305
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]benzaldehyde
CID 14456655
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 6619442
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one (CID 110649497) is 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one is Cc1oc(-c2ccccc2)nc1CCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
The InChIKey is BYQYXJKILWFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-17(20-19(23-15)16-9-5-4-6-10-16)11-12-18(22)21-13-7-2-3-8-14-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3.
What are the key properties of 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one has a molecular weight of 312.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 110649497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).