(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine

C5H10N2O — CID 115060788

IUPAC(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine
SMILESCC1=NCC(CN)O1
InChIInChI=1S/C5H10N2O/c1-4-7-3-5(2-6)8-4/h5H,2-3,6H2,1H3
InChIKeyWTYHBTFRNREHPH-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.24
Rot. Bonds1

About (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine

(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine (PubChem CID 115060788) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine
PubChem CID115060788
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine
SMILESCC1=NCC(CN)O1
InChIInChI=1S/C5H10N2O/c1-4-7-3-5(2-6)8-4/h5H,2-3,6H2,1H3
InChIKeyWTYHBTFRNREHPH-UHFFFAOYSA-N
XLogP-0.24
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 82527392
2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine
CID 115060778
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061563
(4R)-4-(aminomethyl)oxetan-2-one
CID 20656326
(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276468
(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 95348459
oxiran-2-ylmethanamine;trihydrochloride
CID 175135913
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
2-[5-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061610
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine?
The IUPAC name of (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine (CID 115060788) is (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine is CC1=NCC(CN)O1.
What is the InChIKey of (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine?
The InChIKey is WTYHBTFRNREHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-7-3-5(2-6)8-4/h5H,2-3,6H2,1H3.
What are the key properties of (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine?
(2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine has a molecular weight of 114.15 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5-dihydro-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 115060788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).