4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine

C5H9N3O — CID 82502400

IUPAC4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1CN
InChIInChI=1S/C5H9N3O/c1-3-4(2-6)5(7)9-8-3/h2,6-7H2,1H3
InChIKeyNLPSKLBBJOTKER-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.02
Rot. Bonds1

About 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine

4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine (PubChem CID 82502400) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
PubChem CID82502400
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1CN
InChIInChI=1S/C5H9N3O/c1-3-4(2-6)5(7)9-8-3/h2,6-7H2,1H3
InChIKeyNLPSKLBBJOTKER-UHFFFAOYSA-N
XLogP0.02
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine
CID 13317380
3,4-dimethyl-1,2-oxazol-5-amine;ethane
CID 145491487
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82483679
2-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 136765417
4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine
CID 12603867
(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium
CID 143383514
[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82475978
[3-methyl-5-(oxan-2-yl)-1,2-oxazol-4-yl]methanamine
CID 105449979
[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 142610790
(5-chloro-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110095
[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 105488145

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine (CID 82502400) is 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine is Cc1noc(N)c1CN.
What is the InChIKey of 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine?
The InChIKey is NLPSKLBBJOTKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-4(2-6)5(7)9-8-3/h2,6-7H2,1H3.
What are the key properties of 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine?
4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine has a molecular weight of 127.15 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 82502400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).