3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

C22H27N3O4 — CID 51304858

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCN(C(=O)C4CCCO4)CC3)o2)cc1
InChIInChI=1S/C22H27N3O4/c1-16-4-6-17(7-5-16)19-15-23-20(29-19)8-9-21(26)24-10-12-25(13-11-24)22(27)18-3-2-14-28-18/h4-7,15,18H,2-3,8-14H2,1H3
InChIKeyOIHBSDSGHHTAOV-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.43
Rot. Bonds5

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 51304858) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID51304858
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCN(C(=O)C4CCCO4)CC3)o2)cc1
InChIInChI=1S/C22H27N3O4/c1-16-4-6-17(7-5-16)19-15-23-20(29-19)8-9-21(26)24-10-12-25(13-11-24)22(27)18-3-2-14-28-18/h4-7,15,18H,2-3,8-14H2,1H3
InChIKeyOIHBSDSGHHTAOV-UHFFFAOYSA-N
XLogP2.43
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55517839
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110396133
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119483167
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55406914
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
(3aS,6aR)-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682892
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110366006

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one (CID 51304858) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one is Cc1ccc(-c2cnc(CCC(=O)N3CCN(C(=O)C4CCCO4)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is OIHBSDSGHHTAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-4-6-17(7-5-16)19-15-23-20(29-19)8-9-21(26)24-10-12-25(13-11-24)22(27)18-3-2-14-28-18/h4-7,15,18H,2-3,8-14H2,1H3.
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 397.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51304858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).