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

C9H10N2O2 — CID 66200401

IUPAC4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1occc1-c1onc(N)c1C
InChIInChI=1S/C9H10N2O2/c1-5-8(13-11-9(5)10)7-3-4-12-6(7)2/h3-4H,1-2H3,(H2,10,11)
InChIKeyATGOXWYGCKGZPE-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.13
Rot. Bonds1

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

4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine (PubChem CID 66200401) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
PubChem CID66200401
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1occc1-c1onc(N)c1C
InChIInChI=1S/C9H10N2O2/c1-5-8(13-11-9(5)10)7-3-4-12-6(7)2/h3-4H,1-2H3,(H2,10,11)
InChIKeyATGOXWYGCKGZPE-UHFFFAOYSA-N
XLogP2.13
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylfuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66204587
5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198177
4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66199843
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 81479051
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 82890379
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
3-(3-amino-4-methyl-1,2-oxazol-5-yl)phenol
CID 105444092

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine (CID 66200401) is 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine is Cc1occc1-c1onc(N)c1C.
What is the InChIKey of 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The InChIKey is ATGOXWYGCKGZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-8(13-11-9(5)10)7-3-4-12-6(7)2/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine has a molecular weight of 178.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).