3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride

C24H31ClN4O3 — CID 67381318

IUPAC3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(C)c1.Cl
InChIInChI=1S/C24H30N4O3.ClH/c1-5-19-15-31-24(30)28(19)20-6-7-21(17(3)13-20)23(29)27-10-8-26(9-11-27)22-18(4)12-16(2)14-25-22;/h6-7,12-14,19H,5,8-11,15H2,1-4H3;1H
InChIKeyUSAKTHIWAREAGW-UHFFFAOYSA-N
MW458.99 g/mol
LogP4.13
Rot. Bonds4

About 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 67381318) has the molecular formula C24H31ClN4O3 and a molecular weight of 458.99 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
PubChem CID67381318
Molecular FormulaC24H31ClN4O3
Molecular Weight458.99 g/mol
Exact Mass458.21
IUPAC Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(C)c1.Cl
InChIInChI=1S/C24H30N4O3.ClH/c1-5-19-15-31-24(30)28(19)20-6-7-21(17(3)13-20)23(29)27-10-8-26(9-11-27)22-18(4)12-16(2)14-25-22;/h6-7,12-14,19H,5,8-11,15H2,1-4H3;1H
InChIKeyUSAKTHIWAREAGW-UHFFFAOYSA-N
XLogP4.13
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride (CID 67381318) is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride is CCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(C)c1.Cl.
What is the InChIKey of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is USAKTHIWAREAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.ClH/c1-5-19-15-31-24(30)28(19)20-6-7-21(17(3)13-20)23(29)27-10-8-26(9-11-27)22-18(4)12-16(2)14-25-22;/h6-7,12-14,19H,5,8-11,15H2,1-4H3;1H.
What are the key properties of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 458.99 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 67381318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).