3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one

C22H29N3O5 — CID 3523328

IUPAC3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C22H29N3O5/c1-15(2)13-17-14-29-22(28)25(17)16-7-10-23(11-8-16)20(26)9-12-24-18-5-3-4-6-19(18)30-21(24)27/h3-6,15-17H,7-14H2,1-2H3
InChIKeyGOCFYIHNPFNWLK-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.84
Rot. Bonds6

About 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one

3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one (PubChem CID 3523328) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
PubChem CID3523328
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C22H29N3O5/c1-15(2)13-17-14-29-22(28)25(17)16-7-10-23(11-8-16)20(26)9-12-24-18-5-3-4-6-19(18)30-21(24)27/h3-6,15-17H,7-14H2,1-2H3
InChIKeyGOCFYIHNPFNWLK-UHFFFAOYSA-N
XLogP2.84
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 3683349
3-[3-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3860324
4-(2-methylpropyl)-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3708594
3-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 33119201
3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3417317
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 3445891
3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 55379515
3-[4-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 95348365
3-[3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 45355422
3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]-1,3-benzoxazol-2-one
CID 7964146
5-cyclohexyl-1-(4-cyclohexylpiperazin-1-yl)pentan-1-one;3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 69024449
4-(2-methylpropyl)-3-[1-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3591664

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one (CID 3523328) is 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one is CC(C)CC1COC(=O)N1C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1.
What is the InChIKey of 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The InChIKey is GOCFYIHNPFNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-15(2)13-17-14-29-22(28)25(17)16-7-10-23(11-8-16)20(26)9-12-24-18-5-3-4-6-19(18)30-21(24)27/h3-6,15-17H,7-14H2,1-2H3.
What are the key properties of 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one has a molecular weight of 415.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 3523328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).