N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine

C18H24N2O — CID 43686416

IUPACN-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NC1CCCCCCC1
InChIInChI=1S/C18H24N2O/c1-2-4-6-14(7-5-3-1)19-15-10-11-17-16(12-15)20-18(21-17)13-8-9-13/h10-14,19H,1-9H2
InChIKeyOHMAIVFYTYDYRC-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.23
Rot. Bonds3

About N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine

N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine (PubChem CID 43686416) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
PubChem CID43686416
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NC1CCCCCCC1
InChIInChI=1S/C18H24N2O/c1-2-4-6-14(7-5-3-1)19-15-10-11-17-16(12-15)20-18(21-17)13-8-9-13/h10-14,19H,1-9H2
InChIKeyOHMAIVFYTYDYRC-UHFFFAOYSA-N
XLogP5.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
CID 65081682
2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
CID 43686399
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
2-cyclopropyl-N-(2-methoxycyclohexyl)-1,3-benzoxazol-5-amine
CID 43781692
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 82834532
2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 43686438
2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 63657219
1-bromo-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 83084989
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine (CID 43686416) is N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine is c1cc2oc(C3CC3)nc2cc1NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
The InChIKey is OHMAIVFYTYDYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-4-6-14(7-5-3-1)19-15-10-11-17-16(12-15)20-18(21-17)13-8-9-13/h10-14,19H,1-9H2.
What are the key properties of N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine has a molecular weight of 284.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43686416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).