N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine

C12H22N2O — CID 115720213

IUPACN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1cc(C(C)C)no1
InChIInChI=1S/C12H22N2O/c1-5-10(6-2)13-8-11-7-12(9(3)4)14-15-11/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyXVNJNOSWNNCZPO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.08
Rot. Bonds6

About N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine

N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine (PubChem CID 115720213) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
PubChem CID115720213
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1cc(C(C)C)no1
InChIInChI=1S/C12H22N2O/c1-5-10(6-2)13-8-11-7-12(9(3)4)14-15-11/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyXVNJNOSWNNCZPO-UHFFFAOYSA-N
XLogP3.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine (CID 115720213) is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine is CCC(CC)NCc1cc(C(C)C)no1.
What is the InChIKey of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine?
The InChIKey is XVNJNOSWNNCZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-10(6-2)13-8-11-7-12(9(3)4)14-15-11/h7,9-10,13H,5-6,8H2,1-4H3.
What are the key properties of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine?
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115720213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).