N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine

C12H14N2O2 — CID 104576711

IUPACN-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
SMILESCOC1CC(Nc2nc3ccccc3o2)C1
InChIInChI=1S/C12H14N2O2/c1-15-9-6-8(7-9)13-12-14-10-4-2-3-5-11(10)16-12/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyOJPFYGYNVLLUCC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.42
Rot. Bonds3

About N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine

N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine (PubChem CID 104576711) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
PubChem CID104576711
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
SMILESCOC1CC(Nc2nc3ccccc3o2)C1
InChIInChI=1S/C12H14N2O2/c1-15-9-6-8(7-9)13-12-14-10-4-2-3-5-11(10)16-12/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyOJPFYGYNVLLUCC-UHFFFAOYSA-N
XLogP2.42
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine (CID 104576711) is N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine is COC1CC(Nc2nc3ccccc3o2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine?
The InChIKey is OJPFYGYNVLLUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-9-6-8(7-9)13-12-14-10-4-2-3-5-11(10)16-12/h2-5,8-9H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine?
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 104576711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).