3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one

C24H28N4O3 — CID 58484534

IUPAC3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)ccc1C(=O)N1CCN(c2ncc(C3CC3)cc2C)CC1
InChIInChI=1S/C24H28N4O3/c1-16-14-20(28-11-12-31-24(28)30)5-6-21(16)23(29)27-9-7-26(8-10-27)22-17(2)13-19(15-25-22)18-3-4-18/h5-6,13-15,18H,3-4,7-12H2,1-2H3
InChIKeyWAKREEKWPPAPNX-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.49
Rot. Bonds4

About 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one

3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 58484534) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID58484534
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)ccc1C(=O)N1CCN(c2ncc(C3CC3)cc2C)CC1
InChIInChI=1S/C24H28N4O3/c1-16-14-20(28-11-12-31-24(28)30)5-6-21(16)23(29)27-9-7-26(8-10-27)22-17(2)13-19(15-25-22)18-3-4-18/h5-6,13-15,18H,3-4,7-12H2,1-2H3
InChIKeyWAKREEKWPPAPNX-UHFFFAOYSA-N
XLogP3.49
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one (CID 58484534) is 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one is Cc1cc(N2CCOC2=O)ccc1C(=O)N1CCN(c2ncc(C3CC3)cc2C)CC1.
What is the InChIKey of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is WAKREEKWPPAPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-14-20(28-11-12-31-24(28)30)5-6-21(16)23(29)27-9-7-26(8-10-27)22-17(2)13-19(15-25-22)18-3-4-18/h5-6,13-15,18H,3-4,7-12H2,1-2H3.
What are the key properties of 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one?
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).