4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one

C7H12N2O2 — CID 15724065

IUPAC4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)C1(N)C(C)C
InChIInChI=1S/C7H12N2O2/c1-4(2)7(8)5(3)9-11-6(7)10/h4H,8H2,1-3H3
InChIKeySGMMRCXRWUSVEX-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.27
Rot. Bonds1

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

4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one (PubChem CID 15724065) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one
PubChem CID15724065
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)C1(N)C(C)C
InChIInChI=1S/C7H12N2O2/c1-4(2)7(8)5(3)9-11-6(7)10/h4H,8H2,1-3H3
InChIKeySGMMRCXRWUSVEX-UHFFFAOYSA-N
XLogP0.27
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one?
The IUPAC name of 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one (CID 15724065) is 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one.
What is the SMILES notation for 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one?
The canonical SMILES for 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one is CC1=NOC(=O)C1(N)C(C)C.
What is the InChIKey of 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one?
The InChIKey is SGMMRCXRWUSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(2)7(8)5(3)9-11-6(7)10/h4H,8H2,1-3H3.
What are the key properties of 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one?
4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-4-propan-2-yl-1,2-oxazol-5-one is sourced from PubChem (CID 15724065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).