N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

C17H24N2O2 — CID 106871912

IUPACN-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCOC1CCCC(Nc2ccc3oc(C(C)C)nc3c2)C1
InChIInChI=1S/C17H24N2O2/c1-11(2)17-19-15-10-13(7-8-16(15)21-17)18-12-5-4-6-14(9-12)20-3/h7-8,10-12,14,18H,4-6,9H2,1-3H3
InChIKeyGSUMQTONKKHMDW-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.32
Rot. Bonds4

About N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 106871912) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID106871912
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCOC1CCCC(Nc2ccc3oc(C(C)C)nc3c2)C1
InChIInChI=1S/C17H24N2O2/c1-11(2)17-19-15-10-13(7-8-16(15)21-17)18-12-5-4-6-14(9-12)20-3/h7-8,10-12,14,18H,4-6,9H2,1-3H3
InChIKeyGSUMQTONKKHMDW-UHFFFAOYSA-N
XLogP4.32
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
CID 79731105
N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 55140241
N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 64762265
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 63447273
2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine
CID 107448361
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
N-(5,5-dimethylthian-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 79953807
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
CID 107427997
N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106633538
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
5-piperidin-4-yloxy-2-propan-2-yl-1,3-benzoxazole
CID 117098143

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 106871912) is N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is COC1CCCC(Nc2ccc3oc(C(C)C)nc3c2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is GSUMQTONKKHMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)17-19-15-10-13(7-8-16(15)21-17)18-12-5-4-6-14(9-12)20-3/h7-8,10-12,14,18H,4-6,9H2,1-3H3.
What are the key properties of N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 288.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 106871912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).