3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine

C12H21N3O — CID 79462313

IUPAC3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
SMILESCc1noc(C)c1C(C)NC1CCC(N)C1
InChIInChI=1S/C12H21N3O/c1-7(12-8(2)15-16-9(12)3)14-11-5-4-10(13)6-11/h7,10-11,14H,4-6,13H2,1-3H3
InChIKeyRPDVFFMOGMBWFX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.82
Rot. Bonds3

About 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine

3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine (PubChem CID 79462313) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
PubChem CID79462313
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
SMILESCc1noc(C)c1C(C)NC1CCC(N)C1
InChIInChI=1S/C12H21N3O/c1-7(12-8(2)15-16-9(12)3)14-11-5-4-10(13)6-11/h7,10-11,14H,4-6,13H2,1-3H3
InChIKeyRPDVFFMOGMBWFX-UHFFFAOYSA-N
XLogP1.82
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine (CID 79462313) is 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine is Cc1noc(C)c1C(C)NC1CCC(N)C1.
What is the InChIKey of 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine?
The InChIKey is RPDVFFMOGMBWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-7(12-8(2)15-16-9(12)3)14-11-5-4-10(13)6-11/h7,10-11,14H,4-6,13H2,1-3H3.
What are the key properties of 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine?
3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79462313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).