N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine

C21H24N2O2 — CID 45279547

IUPACN-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1C
InChIInChI=1S/C21H24N2O2/c1-14-12-15(8-10-19(14)24-2)16-9-11-20-18(13-16)23-21(25-20)22-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H,22,23)
InChIKeyJLDFFOCTFUXWEN-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.56
Rot. Bonds4

About N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine

N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine (PubChem CID 45279547) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine
PubChem CID45279547
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1C
InChIInChI=1S/C21H24N2O2/c1-14-12-15(8-10-19(14)24-2)16-9-11-20-18(13-16)23-21(25-20)22-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H,22,23)
InChIKeyJLDFFOCTFUXWEN-UHFFFAOYSA-N
XLogP5.56
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine (CID 45279547) is N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine is COc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1C.
What is the InChIKey of N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is JLDFFOCTFUXWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-12-15(8-10-19(14)24-2)16-9-11-20-18(13-16)23-21(25-20)22-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H,22,23).
What are the key properties of N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine?
N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 336.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-methoxy-3-methylphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 45279547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).