(Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine

C7H12N2O2 — CID 140933964

IUPAC(Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine
SMILESCO/N=C1/C(C)=NOC1(C)C
InChIInChI=1S/C7H12N2O2/c1-5-6(9-10-4)7(2,3)11-8-5/h1-4H3/b9-6-
InChIKeyHUIDDLMVRIOHQP-TWGQIWQCSA-N
MW156.18 g/mol
LogP1.17
Rot. Bonds1

About (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine

(Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine (PubChem CID 140933964) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine
PubChem CID140933964
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine
SMILESCO/N=C1/C(C)=NOC1(C)C
InChIInChI=1S/C7H12N2O2/c1-5-6(9-10-4)7(2,3)11-8-5/h1-4H3/b9-6-
InChIKeyHUIDDLMVRIOHQP-TWGQIWQCSA-N
XLogP1.17
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine
CID 137270999
3,5,5-Trimethyl-4,5-dihydroisoxazole 2-oxide
CID 171666009
3,5,5-trimethyl-4H-1,2-oxazole
CID 12228203
CID 58544115
CID 58544115
CID 58544226
CID 58544226
N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine
CID 76880091
3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 123899620
3-(2-Methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 123949702
4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole
CID 140934005
5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole
CID 159289740
(Z)-N-methoxy-2,2-dimethyloxolan-3-imine
CID 133629606
N-(3,5,5-trimethyl-1,2-oxazol-4-ylidene)hydroxylamine
CID 135457117

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine?
The IUPAC name of (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine (CID 140933964) is (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine.
What is the SMILES notation for (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine?
The canonical SMILES for (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine is CO/N=C1/C(C)=NOC1(C)C.
What is the InChIKey of (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine?
The InChIKey is HUIDDLMVRIOHQP-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-6(9-10-4)7(2,3)11-8-5/h1-4H3/b9-6-.
What are the key properties of (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine?
(Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine has a molecular weight of 156.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-3,5,5-trimethyl-1,2-oxazol-4-imine is sourced from PubChem (CID 140933964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).