1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine

C10H17N3O — CID 106387939

IUPAC1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine
SMILESCc1cnc(C(C)NC2CC(N)C2)o1
InChIInChI=1S/C10H17N3O/c1-6-5-12-10(14-6)7(2)13-9-3-8(11)4-9/h5,7-9,13H,3-4,11H2,1-2H3
InChIKeyKIVRRHXEDXPOTD-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.12
Rot. Bonds3

About 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine

1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine (PubChem CID 106387939) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine
PubChem CID106387939
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine
SMILESCc1cnc(C(C)NC2CC(N)C2)o1
InChIInChI=1S/C10H17N3O/c1-6-5-12-10(14-6)7(2)13-9-3-8(11)4-9/h5,7-9,13H,3-4,11H2,1-2H3
InChIKeyKIVRRHXEDXPOTD-UHFFFAOYSA-N
XLogP1.12
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclopentane-1,3-diamine
CID 106387997
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
CID 127001473
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-4-amine
CID 103893746
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]adamantan-2-amine
CID 106388064
1-cyclopropyl-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-3-amine
CID 113365420
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 106388110
2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine
CID 106387930
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
CID 103893726
N,N-dimethyl-2-[4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 104773415
1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea
CID 103946435
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine (CID 106387939) is 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine is Cc1cnc(C(C)NC2CC(N)C2)o1.
What is the InChIKey of 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine?
The InChIKey is KIVRRHXEDXPOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-5-12-10(14-6)7(2)13-9-3-8(11)4-9/h5,7-9,13H,3-4,11H2,1-2H3.
What are the key properties of 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine?
1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 106387939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).