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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Related Compounds

N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
CID 25220772
1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine
CID 115720217
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335806
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine
CID 115627607
1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 115627609
N-ethyl-N-methyl-5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]pyridin-2-amine
CID 119047929
3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole
CID 71997313
1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335796
1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335800
2-methyl-1-pentyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111587256
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111618886

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).