4-methyl-3-propan-2-yl-1,2-oxazol-5-amine

C7H12N2O — CID 14457874

IUPAC4-methyl-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1c(C(C)C)noc1N
InChIInChI=1S/C7H12N2O/c1-4(2)6-5(3)7(8)10-9-6/h4H,8H2,1-3H3
InChIKeyPSPCPJKZLWXHRV-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.69
Rot. Bonds1

About 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine

4-methyl-3-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 14457874) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1,2-oxazol-5-amine
PubChem CID14457874
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methyl-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCc1c(C(C)C)noc1N
InChIInChI=1S/C7H12N2O/c1-4(2)6-5(3)7(8)10-9-6/h4H,8H2,1-3H3
InChIKeyPSPCPJKZLWXHRV-UHFFFAOYSA-N
XLogP1.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3,4-dimethylisoxazole
CID 88317
3-(Propan-2-yl)-1,2-oxazol-5-amine
CID 2115208
3-Tert-butyl-1,2-oxazol-5-amine
CID 2095694
4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine
CID 3446560
3-Cyclopropyl-1,2-oxazol-5-amine
CID 16227779
4H,5H,6H-cyclopenta(c)(1,2)oxazol-3-amine
CID 4737027
3-(2-Methylpropyl)-1,2-oxazol-5-amine
CID 13377309
3-Ethyl-1,2-oxazol-5-amine
CID 10866295
5-Amino-3-ethyl-4-isoxazolecarbonitrile
CID 258181
3-(Pentan-3-yl)-1,2-oxazol-5-amine
CID 13168213
3-Cyclohexyl-4-methyl-1,2-oxazol-5-amine
CID 43158311
4-Isoxazolemethanamine, 3,5-diethyl-
CID 71755768

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine (CID 14457874) is 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine is Cc1c(C(C)C)noc1N.
What is the InChIKey of 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is PSPCPJKZLWXHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(2)6-5(3)7(8)10-9-6/h4H,8H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine?
4-methyl-3-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 140.19 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 14457874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).