N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine

C18H23BrN2O — CID 66578383

IUPACN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine
SMILESCc1noc(-c2ccc(Br)cc2)c1CNCC1CCCCC1
InChIInChI=1S/C18H23BrN2O/c1-13-17(12-20-11-14-5-3-2-4-6-14)18(22-21-13)15-7-9-16(19)10-8-15/h7-10,14,20H,2-6,11-12H2,1H3
InChIKeyMCFJQTIMFGKFAM-UHFFFAOYSA-N
MW363.30 g/mol
LogP5.08
Rot. Bonds5

About N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine

N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine (PubChem CID 66578383) has the molecular formula C18H23BrN2O and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine
PubChem CID66578383
Molecular FormulaC18H23BrN2O
Molecular Weight363.30 g/mol
Exact Mass362.10
IUPAC NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine
SMILESCc1noc(-c2ccc(Br)cc2)c1CNCC1CCCCC1
InChIInChI=1S/C18H23BrN2O/c1-13-17(12-20-11-14-5-3-2-4-6-14)18(22-21-13)15-7-9-16(19)10-8-15/h7-10,14,20H,2-6,11-12H2,1H3
InChIKeyMCFJQTIMFGKFAM-UHFFFAOYSA-N
XLogP5.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine (CID 66578383) is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine is Cc1noc(-c2ccc(Br)cc2)c1CNCC1CCCCC1.
What is the InChIKey of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine?
The InChIKey is MCFJQTIMFGKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O/c1-13-17(12-20-11-14-5-3-2-4-6-14)18(22-21-13)15-7-9-16(19)10-8-15/h7-10,14,20H,2-6,11-12H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine?
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine has a molecular weight of 363.30 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 66578383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).