N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine

C26H32N2O — CID 69175605

IUPACN,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine
SMILESCc1cccc(-c2coc(CC3CCC(C(c4ccccc4)N(C)C)CC3)n2)c1
InChIInChI=1S/C26H32N2O/c1-19-8-7-11-23(16-19)24-18-29-25(27-24)17-20-12-14-22(15-13-20)26(28(2)3)21-9-5-4-6-10-21/h4-11,16,18,20,22,26H,12-15,17H2,1-3H3
InChIKeyZHXRHTXXTTZYMK-UHFFFAOYSA-N
MW388.56 g/mol
LogP6.30
Rot. Bonds6

About N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine

N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine (PubChem CID 69175605) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine
PubChem CID69175605
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine
SMILESCc1cccc(-c2coc(CC3CCC(C(c4ccccc4)N(C)C)CC3)n2)c1
InChIInChI=1S/C26H32N2O/c1-19-8-7-11-23(16-19)24-18-29-25(27-24)17-20-12-14-22(15-13-20)26(28(2)3)21-9-5-4-6-10-21/h4-11,16,18,20,22,26H,12-15,17H2,1-3H3
InChIKeyZHXRHTXXTTZYMK-UHFFFAOYSA-N
XLogP6.30
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine?
The IUPAC name of N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine (CID 69175605) is N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine is Cc1cccc(-c2coc(CC3CCC(C(c4ccccc4)N(C)C)CC3)n2)c1.
What is the InChIKey of N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine?
The InChIKey is ZHXRHTXXTTZYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-19-8-7-11-23(16-19)24-18-29-25(27-24)17-20-12-14-22(15-13-20)26(28(2)3)21-9-5-4-6-10-21/h4-11,16,18,20,22,26H,12-15,17H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine?
N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine has a molecular weight of 388.56 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine is sourced from PubChem (CID 69175605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).