N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine

C22H28N4O — CID 139602311

IUPACN-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1c(-c2ccc3oc(NC4CCCCC4)nc3c2)nc2n1CCC(C)C2
InChIInChI=1S/C22H28N4O/c1-14-10-11-26-15(2)21(25-20(26)12-14)16-8-9-19-18(13-16)24-22(27-19)23-17-6-4-3-5-7-17/h8-9,13-14,17H,3-7,10-12H2,1-2H3,(H,23,24)
InChIKeyNZRCLJZQYXVMRY-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.33
Rot. Bonds3

About N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine

N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 139602311) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID139602311
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1c(-c2ccc3oc(NC4CCCCC4)nc3c2)nc2n1CCC(C)C2
InChIInChI=1S/C22H28N4O/c1-14-10-11-26-15(2)21(25-20(26)12-14)16-8-9-19-18(13-16)24-22(27-19)23-17-6-4-3-5-7-17/h8-9,13-14,17H,3-7,10-12H2,1-2H3,(H,23,24)
InChIKeyNZRCLJZQYXVMRY-UHFFFAOYSA-N
XLogP5.33
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
CID 45279829
N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
CID 139602314
5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 45279549
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
CID 68657492
N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
CID 68656484
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 91427328
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
CID 70903060
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 70903063
2-N-(4-methylcyclohexyl)-1,3-benzoxazole-2,5-diamine
CID 79885447
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine
CID 68658124

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (CID 139602311) is N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is Cc1c(-c2ccc3oc(NC4CCCCC4)nc3c2)nc2n1CCC(C)C2.
What is the InChIKey of N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is NZRCLJZQYXVMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-14-10-11-26-15(2)21(25-20(26)12-14)16-8-9-19-18(13-16)24-22(27-19)23-17-6-4-3-5-7-17/h8-9,13-14,17H,3-7,10-12H2,1-2H3,(H,23,24).
What are the key properties of N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 364.49 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 139602311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).