[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone

C19H23ClN2O3 — CID 68500099

IUPAC[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccc(OCCCCl)cc2)oc1C(=O)N1CCCCC1
InChIInChI=1S/C19H23ClN2O3/c1-14-17(19(23)22-11-3-2-4-12-22)25-18(21-14)15-6-8-16(9-7-15)24-13-5-10-20/h6-9H,2-5,10-13H2,1H3
InChIKeyKROOITKIIQYHOG-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.28
Rot. Bonds6

About [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone

[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 68500099) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID68500099
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccc(OCCCCl)cc2)oc1C(=O)N1CCCCC1
InChIInChI=1S/C19H23ClN2O3/c1-14-17(19(23)22-11-3-2-4-12-22)25-18(21-14)15-6-8-16(9-7-15)24-13-5-10-20/h6-9H,2-5,10-13H2,1H3
InChIKeyKROOITKIIQYHOG-UHFFFAOYSA-N
XLogP4.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazole-5-carboxylic acid
CID 59457455
[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone
CID 11858136
1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone
CID 91231788
[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 59457474
2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003
5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118114
[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 68502387
[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 143299914
[5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91238533
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
[4-(2-chloroethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-ethylpyrrolidine
CID 143297647
1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
CID 11857828

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone (CID 68500099) is [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone is Cc1nc(-c2ccc(OCCCCl)cc2)oc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is KROOITKIIQYHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-14-17(19(23)22-11-3-2-4-12-22)25-18(21-14)15-6-8-16(9-7-15)24-13-5-10-20/h6-9H,2-5,10-13H2,1H3.
What are the key properties of [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone?
[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 362.86 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 68500099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).