2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine

C9H18N2O — CID 115060778

IUPAC2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine
SMILESCC(C)(C)C1=NCC(CCN)O1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8-11-6-7(12-8)4-5-10/h7H,4-6,10H2,1-3H3
InChIKeyYLJSMNLEFCPZJD-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.18
Rot. Bonds2

About 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine

2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine (PubChem CID 115060778) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine
PubChem CID115060778
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine
SMILESCC(C)(C)C1=NCC(CCN)O1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8-11-6-7(12-8)4-5-10/h7H,4-6,10H2,1-3H3
InChIKeyYLJSMNLEFCPZJD-UHFFFAOYSA-N
XLogP1.18
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclobutyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine
CID 115060647
2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
CID 115060872
(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine
CID 115060788
2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole
CID 121293249
(5S)-5-[(4-tert-butylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67060987
2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 159903912
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82112897
(5S,6S)-2-tert-butyl-5-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 122380544
2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117169771
2-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]ethanamine
CID 142994239
2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine
CID 59821310
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061563

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine (CID 115060778) is 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine is CC(C)(C)C1=NCC(CCN)O1.
What is the InChIKey of 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine?
The InChIKey is YLJSMNLEFCPZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8-11-6-7(12-8)4-5-10/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine?
2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine has a molecular weight of 170.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 115060778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).