(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine

C10H18N2O — CID 167047354

IUPAC(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine
SMILESCc1cc(C[C@@H](N)CC(C)C)on1
InChIInChI=1S/C10H18N2O/c1-7(2)4-9(11)6-10-5-8(3)12-13-10/h5,7,9H,4,6,11H2,1-3H3/t9-/m0/s1
InChIKeyKSBNJMQMLOVXOL-VIFPVBQESA-N
MW182.27 g/mol
LogP1.90
Rot. Bonds4

About (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine

(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine (PubChem CID 167047354) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine
PubChem CID167047354
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine
SMILESCc1cc(C[C@@H](N)CC(C)C)on1
InChIInChI=1S/C10H18N2O/c1-7(2)4-9(11)6-10-5-8(3)12-13-10/h5,7,9H,4,6,11H2,1-3H3/t9-/m0/s1
InChIKeyKSBNJMQMLOVXOL-VIFPVBQESA-N
XLogP1.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(2-methylbutyl)-1,2-oxazole
CID 89112070
1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanamine
CID 68534767
4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 163277320
(1S)-1-[5-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 63367192
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 18099793
1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
CID 115317920
1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60908446
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
1-[3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]ethanamine
CID 64661934
3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]butan-2-ol
CID 103705992

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine (CID 167047354) is (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine is Cc1cc(C[C@@H](N)CC(C)C)on1.
What is the InChIKey of (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine?
The InChIKey is KSBNJMQMLOVXOL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)4-9(11)6-10-5-8(3)12-13-10/h5,7,9H,4,6,11H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine?
(2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-(3-methyl-1,2-oxazol-5-yl)pentan-2-amine is sourced from PubChem (CID 167047354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).