N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine

C11H18N2O — CID 103562122

IUPACN-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCc2ccon2)C1
InChIInChI=1S/C11H18N2O/c1-8(2)9-5-11(6-9)12-7-10-3-4-14-13-10/h3-4,8-9,11-12H,5-7H2,1-2H3
InChIKeyVNQIYPCREDWVRR-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.20
Rot. Bonds4

About N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine

N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562122) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562122
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCc2ccon2)C1
InChIInChI=1S/C11H18N2O/c1-8(2)9-5-11(6-9)12-7-10-3-4-14-13-10/h3-4,8-9,11-12H,5-7H2,1-2H3
InChIKeyVNQIYPCREDWVRR-UHFFFAOYSA-N
XLogP2.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 79496315
N-(1,2-oxazol-3-ylmethyl)thian-4-amine
CID 79496113
N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine
CID 79496112
N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothian-4-amine
CID 81171423
4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cycloheptan-1-amine
CID 81169980
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 81171188
2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170767
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine
CID 81170847
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidine-2,5-dione
CID 81170451
5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81343933
4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine
CID 130646323

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine (CID 103562122) is N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(NCc2ccon2)C1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is VNQIYPCREDWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)9-5-11(6-9)12-7-10-3-4-14-13-10/h3-4,8-9,11-12H,5-7H2,1-2H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine?
N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).