N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine

C14H18N2O2 — CID 115563724

IUPACN-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
SMILESCC1(C)CC(Nc2nc3ccccc3o2)CCO1
InChIInChI=1S/C14H18N2O2/c1-14(2)9-10(7-8-17-14)15-13-16-11-5-3-4-6-12(11)18-13/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyZTFYRBJQIJPKQU-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.20
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine

N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 115563724) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
PubChem CID115563724
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
SMILESCC1(C)CC(Nc2nc3ccccc3o2)CCO1
InChIInChI=1S/C14H18N2O2/c1-14(2)9-10(7-8-17-14)15-13-16-11-5-3-4-6-12(11)18-13/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyZTFYRBJQIJPKQU-UHFFFAOYSA-N
XLogP3.20
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)quinolin-2-amine
CID 115563852
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
CID 70938493
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
CID 133347923
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
N-(1,1-dioxothian-3-yl)-1,3-benzoxazol-2-amine
CID 63923752
N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 78960182

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine (CID 115563724) is N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine is CC1(C)CC(Nc2nc3ccccc3o2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is ZTFYRBJQIJPKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)9-10(7-8-17-14)15-13-16-11-5-3-4-6-12(11)18-13/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine?
N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 246.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 115563724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).