(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine

C9H16N2O2 — CID 82406624

IUPAC(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1nc([C@H](C)N)oc1COC
InChIInChI=1S/C9H16N2O2/c1-4-7-8(5-12-3)13-9(11-7)6(2)10/h6H,4-5,10H2,1-3H3/t6-/m0/s1
InChIKeyNVWHQCAEYAUNIK-LURJTMIESA-N
MW184.24 g/mol
LogP1.40
Rot. Bonds4

About (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine

(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82406624) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82406624
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1nc([C@H](C)N)oc1COC
InChIInChI=1S/C9H16N2O2/c1-4-7-8(5-12-3)13-9(11-7)6(2)10/h6H,4-5,10H2,1-3H3/t6-/m0/s1
InChIKeyNVWHQCAEYAUNIK-LURJTMIESA-N
XLogP1.40
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine
CID 115013442
1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441413
1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine
CID 82654534
methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371759
1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine
CID 82653619
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94241265
2-(2,4-dimethylpentan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114282368
1-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethanamine
CID 65179175
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
4-ethyl-5-methoxy-2-methyl-1,3-oxazole
CID 13101549
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272323

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine (CID 82406624) is (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine is CCc1nc([C@H](C)N)oc1COC.
What is the InChIKey of (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is NVWHQCAEYAUNIK-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-7-8(5-12-3)13-9(11-7)6(2)10/h6H,4-5,10H2,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine?
(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 184.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82406624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).