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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Related Compounds

N-(furan-3-yl)-1-methylpiperidin-3-amine
CID 163213114
5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 171778093
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463
N-(2,3-dihydrofuran-4-yl)-1-methylpiperidin-3-amine
CID 175885568
2-N-(1-methylpiperidin-3-yl)-1,3-benzoxazole-2,6-diamine
CID 79893336
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 62133635
N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
CID 175837863
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
CID 61211228

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).