N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine

C10H17N3O — CID 83484641

IUPACN-(1-methylazepan-3-yl)-1,3-oxazol-2-amine
SMILESCN1CCCCC(Nc2ncco2)C1
InChIInChI=1S/C10H17N3O/c1-13-6-3-2-4-9(8-13)12-10-11-5-7-14-10/h5,7,9H,2-4,6,8H2,1H3,(H,11,12)
InChIKeyOUGUQJFZQJTRJD-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.57
Rot. Bonds2

About N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine

N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine (PubChem CID 83484641) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(1-methylazepan-3-yl)-1,3-oxazol-2-amine
PubChem CID83484641
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(1-methylazepan-3-yl)-1,3-oxazol-2-amine
SMILESCN1CCCCC(Nc2ncco2)C1
InChIInChI=1S/C10H17N3O/c1-13-6-3-2-4-9(8-13)12-10-11-5-7-14-10/h5,7,9H,2-4,6,8H2,1H3,(H,11,12)
InChIKeyOUGUQJFZQJTRJD-UHFFFAOYSA-N
XLogP1.57
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine (CID 83484641) is N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine is CN1CCCCC(Nc2ncco2)C1.
What is the InChIKey of N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine?
The InChIKey is OUGUQJFZQJTRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-3-2-4-9(8-13)12-10-11-5-7-14-10/h5,7,9H,2-4,6,8H2,1H3,(H,11,12).
What are the key properties of N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine?
N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 83484641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).