3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one

C17H24N2O2 — CID 65080065

IUPAC3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
SMILESCC1CCCC(Nc2cccc(N3CCOC3=O)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-4-2-5-14(9-8-13)18-15-6-3-7-16(12-15)19-10-11-21-17(19)20/h3,6-7,12-14,18H,2,4-5,8-11H2,1H3
InChIKeyTTWNVTSCCKIQTI-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.02
Rot. Bonds3

About 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one

3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 65080065) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
PubChem CID65080065
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
SMILESCC1CCCC(Nc2cccc(N3CCOC3=O)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-4-2-5-14(9-8-13)18-15-6-3-7-16(12-15)19-10-11-21-17(19)20/h3,6-7,12-14,18H,2,4-5,8-11H2,1H3
InChIKeyTTWNVTSCCKIQTI-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one (CID 65080065) is 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one is CC1CCCC(Nc2cccc(N3CCOC3=O)c2)CC1.
What is the InChIKey of 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is TTWNVTSCCKIQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-4-2-5-14(9-8-13)18-15-6-3-7-16(12-15)19-10-11-21-17(19)20/h3,6-7,12-14,18H,2,4-5,8-11H2,1H3.
What are the key properties of 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 65080065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).