3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane

C26H37N7O3 — CID 168962492

IUPAC3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.CCN(CC)CCCn1nnc(-c2ccc(-c3ccc(N4CC(CO)OC4=O)cc3C)cn2)n1
InChIInChI=1S/C24H31N7O3.C2H6/c1-4-29(5-2)11-6-12-31-27-23(26-28-31)22-10-7-18(14-25-22)21-9-8-19(13-17(21)3)30-15-20(16-32)34-24(30)33;1-2/h7-10,13-14,20,32H,4-6,11-12,15-16H2,1-3H3;1-2H3
InChIKeyDSSRNNFGWRUNSU-UHFFFAOYSA-N
MW495.63 g/mol
LogP3.79
Rot. Bonds10

About 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane

3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane (PubChem CID 168962492) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane
PubChem CID168962492
Molecular FormulaC26H37N7O3
Molecular Weight495.63 g/mol
Exact Mass495.30
IUPAC Name3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.CCN(CC)CCCn1nnc(-c2ccc(-c3ccc(N4CC(CO)OC4=O)cc3C)cn2)n1
InChIInChI=1S/C24H31N7O3.C2H6/c1-4-29(5-2)11-6-12-31-27-23(26-28-31)22-10-7-18(14-25-22)21-9-8-19(13-17(21)3)30-15-20(16-32)34-24(30)33;1-2/h7-10,13-14,20,32H,4-6,11-12,15-16H2,1-3H3;1-2H3
InChIKeyDSSRNNFGWRUNSU-UHFFFAOYSA-N
XLogP3.79
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(5S)-3-[4-[6-(2-ethyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;phosphoric acid
CID 175794028
[(5S)-3-[4-[6-(2-butyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium chloride
CID 169429223
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate
CID 162510114
5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 72752411
3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72791370
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate
CID 59477107
(5R)-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11440117
[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
CID 72783304
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-aminopropanoate
CID 11467041
CID 131886043
CID 131886043
(5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 162510122

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane (CID 168962492) is 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane is CC.CCN(CC)CCCn1nnc(-c2ccc(-c3ccc(N4CC(CO)OC4=O)cc3C)cn2)n1.
What is the InChIKey of 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane?
The InChIKey is DSSRNNFGWRUNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3.C2H6/c1-4-29(5-2)11-6-12-31-27-23(26-28-31)22-10-7-18(14-25-22)21-9-8-19(13-17(21)3)30-15-20(16-32)34-24(30)33;1-2/h7-10,13-14,20,32H,4-6,11-12,15-16H2,1-3H3;1-2H3.
What are the key properties of 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane?
3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane has a molecular weight of 495.63 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[2-[3-(diethylamino)propyl]tetrazol-5-yl]-3-pyridinyl]-3-methylphenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 168962492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).