1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

C21H30N2O2 — CID 146000298

IUPAC1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cc(COc2ccccc2CNC(C)CC2CCCCC2)no1
InChIInChI=1S/C21H30N2O2/c1-16(12-18-8-4-3-5-9-18)22-14-19-10-6-7-11-21(19)24-15-20-13-17(2)25-23-20/h6-7,10-11,13,16,18,22H,3-5,8-9,12,14-15H2,1-2H3
InChIKeyIAPPYFRQHJQLQW-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.01
Rot. Bonds8

About 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 146000298) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID146000298
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cc(COc2ccccc2CNC(C)CC2CCCCC2)no1
InChIInChI=1S/C21H30N2O2/c1-16(12-18-8-4-3-5-9-18)22-14-19-10-6-7-11-21(19)24-15-20-13-17(2)25-23-20/h6-7,10-11,13,16,18,22H,3-5,8-9,12,14-15H2,1-2H3
InChIKeyIAPPYFRQHJQLQW-UHFFFAOYSA-N
XLogP5.01
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (CID 146000298) is 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1cc(COc2ccccc2CNC(C)CC2CCCCC2)no1.
What is the InChIKey of 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is IAPPYFRQHJQLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(12-18-8-4-3-5-9-18)22-14-19-10-6-7-11-21(19)24-15-20-13-17(2)25-23-20/h6-7,10-11,13,16,18,22H,3-5,8-9,12,14-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 342.48 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 146000298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).