4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C24H26N6O3 — CID 3811548

IUPAC4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H26N6O3/c1-17-22(18-8-4-2-5-9-18)33-24(32)30(17)20-12-14-28(15-13-20)21(31)16-29-26-23(25-27-29)19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3
InChIKeyITOHCJMDJARFHM-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.91
Rot. Bonds5

About 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3811548) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3811548
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H26N6O3/c1-17-22(18-8-4-2-5-9-18)33-24(32)30(17)20-12-14-28(15-13-20)21(31)16-29-26-23(25-27-29)19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3
InChIKeyITOHCJMDJARFHM-UHFFFAOYSA-N
XLogP2.91
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 23821824
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
[2-[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 5004117
(4S,5R)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74225021
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
(4R,5S)-4-methyl-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23996982
N-[2-[4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 74228719
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 134813320
1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 860141
(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74229518

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3811548) is 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ITOHCJMDJARFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-17-22(18-8-4-2-5-9-18)33-24(32)30(17)20-12-14-28(15-13-20)21(31)16-29-26-23(25-27-29)19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3.
What are the key properties of 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 446.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3811548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).