N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine

C24H30N4O2 — CID 71557333

IUPACN-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine
SMILESCOc1cc(-c2noc3c2CCCC3NC2CCCCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H30N4O2/c1-16-14-28(15-25-16)21-12-11-17(13-22(21)29-2)23-19-9-6-10-20(24(19)30-27-23)26-18-7-4-3-5-8-18/h11-15,18,20,26H,3-10H2,1-2H3
InChIKeyNSZVTUFQBOZSJC-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.14
Rot. Bonds5

About N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine

N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine (PubChem CID 71557333) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine
PubChem CID71557333
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine
SMILESCOc1cc(-c2noc3c2CCCC3NC2CCCCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H30N4O2/c1-16-14-28(15-25-16)21-12-11-17(13-22(21)29-2)23-19-9-6-10-20(24(19)30-27-23)26-18-7-4-3-5-8-18/h11-15,18,20,26H,3-10H2,1-2H3
InChIKeyNSZVTUFQBOZSJC-UHFFFAOYSA-N
XLogP5.14
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine?
The IUPAC name of N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine (CID 71557333) is N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine.
What is the SMILES notation for N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine?
The canonical SMILES for N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine is COc1cc(-c2noc3c2CCCC3NC2CCCCC2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine?
The InChIKey is NSZVTUFQBOZSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16-14-28(15-25-16)21-12-11-17(13-22(21)29-2)23-19-9-6-10-20(24(19)30-27-23)26-18-7-4-3-5-8-18/h11-15,18,20,26H,3-10H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine?
N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine has a molecular weight of 406.53 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine is sourced from PubChem (CID 71557333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).