5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine

C16H21N3O — CID 117431573

IUPAC5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine
SMILESCN1CCCC(c2ccccc2-c2cc(N)no2)CC1
InChIInChI=1S/C16H21N3O/c1-19-9-4-5-12(8-10-19)13-6-2-3-7-14(13)15-11-16(17)18-20-15/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H2,17,18)
InChIKeyOVVDUZBPDDCNBN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds2

About 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine

5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117431573) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117431573
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine
SMILESCN1CCCC(c2ccccc2-c2cc(N)no2)CC1
InChIInChI=1S/C16H21N3O/c1-19-9-4-5-12(8-10-19)13-6-2-3-7-14(13)15-11-16(17)18-20-15/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H2,17,18)
InChIKeyOVVDUZBPDDCNBN-UHFFFAOYSA-N
XLogP3.12
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
CID 117329052
1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine
CID 117458050
5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117459601
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
CID 117369000
2-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-amine
CID 117337036
3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine
CID 117405841
3-amino-1-[2-(1-methylazepan-4-yl)phenyl]propan-1-one
CID 117405758
4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461655
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine (CID 117431573) is 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine is CN1CCCC(c2ccccc2-c2cc(N)no2)CC1.
What is the InChIKey of 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is OVVDUZBPDDCNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-9-4-5-12(8-10-19)13-6-2-3-7-14(13)15-11-16(17)18-20-15/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H2,17,18).
What are the key properties of 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine?
5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117431573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).