N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine

C18H28N2O — CID 43745099

IUPACN-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCCCCCCC(C)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C18H28N2O/c1-5-6-7-8-9-14(4)19-15-10-11-17-16(12-15)20-18(21-17)13(2)3/h10-14,19H,5-9H2,1-4H3
InChIKeyQYXXVKXVZSOXTL-UHFFFAOYSA-N
MW288.44 g/mol
LogP5.72
Rot. Bonds8

About N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine

N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 43745099) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID43745099
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCCCCCCC(C)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C18H28N2O/c1-5-6-7-8-9-14(4)19-15-10-11-17-16(12-15)20-18(21-17)13(2)3/h10-14,19H,5-9H2,1-4H3
InChIKeyQYXXVKXVZSOXTL-UHFFFAOYSA-N
XLogP5.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-heptan-2-ylquinoxalin-6-amine
CID 54863501
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-octan-2-yl-1H-indol-5-amine
CID 43130007
N-octan-2-yl-1,3-benzodioxol-5-amine
CID 43129908

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 43745099) is N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine is CCCCCCC(C)Nc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is QYXXVKXVZSOXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-6-7-8-9-14(4)19-15-10-11-17-16(12-15)20-18(21-17)13(2)3/h10-14,19H,5-9H2,1-4H3.
What are the key properties of N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 288.44 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).