1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one

C22H30N2O3 — CID 142936134

IUPAC1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one
SMILESCC(=O)CNCC1CCCC(OCc2nc(-c3ccc(C)cc3)oc2C)C1
InChIInChI=1S/C22H30N2O3/c1-15-7-9-19(10-8-15)22-24-21(17(3)27-22)14-26-20-6-4-5-18(11-20)13-23-12-16(2)25/h7-10,18,20,23H,4-6,11-14H2,1-3H3
InChIKeyKNAVQEJYPFIBKG-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.21
Rot. Bonds8

About 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one

1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one (PubChem CID 142936134) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one.

Molecular Properties

Compound Name1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one
PubChem CID142936134
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one
SMILESCC(=O)CNCC1CCCC(OCc2nc(-c3ccc(C)cc3)oc2C)C1
InChIInChI=1S/C22H30N2O3/c1-15-7-9-19(10-8-15)22-24-21(17(3)27-22)14-26-20-6-4-5-18(11-20)13-23-12-16(2)25/h7-10,18,20,23H,4-6,11-14H2,1-3H3
InChIKeyKNAVQEJYPFIBKG-UHFFFAOYSA-N
XLogP4.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one?
The IUPAC name of 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one (CID 142936134) is 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one.
What is the SMILES notation for 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one?
The canonical SMILES for 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one is CC(=O)CNCC1CCCC(OCc2nc(-c3ccc(C)cc3)oc2C)C1.
What is the InChIKey of 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one?
The InChIKey is KNAVQEJYPFIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-7-9-19(10-8-15)22-24-21(17(3)27-22)14-26-20-6-4-5-18(11-20)13-23-12-16(2)25/h7-10,18,20,23H,4-6,11-14H2,1-3H3.
What are the key properties of 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one?
1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one has a molecular weight of 370.49 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one is sourced from PubChem (CID 142936134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).