1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine

C16H29N3O — CID 79559984

IUPAC1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine
SMILESCc1noc(C)c1C(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C16H29N3O/c1-11(10-15-8-6-5-7-9-17-15)18-12(2)16-13(3)19-20-14(16)4/h11-12,15,17-18H,5-10H2,1-4H3
InChIKeyRZCSISQHRWKILW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.25
Rot. Bonds5

About 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine

1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine (PubChem CID 79559984) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine
PubChem CID79559984
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine
SMILESCc1noc(C)c1C(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C16H29N3O/c1-11(10-15-8-6-5-7-9-17-15)18-12(2)16-13(3)19-20-14(16)4/h11-12,15,17-18H,5-10H2,1-4H3
InChIKeyRZCSISQHRWKILW-UHFFFAOYSA-N
XLogP3.25
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
CID 79559973
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
(2S)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-2-carboxamide
CID 103811457
1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79535946
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine (CID 79559984) is 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine is Cc1noc(C)c1C(C)NC(C)CC1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine?
The InChIKey is RZCSISQHRWKILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(10-15-8-6-5-7-9-17-15)18-12(2)16-13(3)19-20-14(16)4/h11-12,15,17-18H,5-10H2,1-4H3.
What are the key properties of 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79559984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).