4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole

C12H19NO — CID 173218397

IUPAC4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole
SMILESCCc1nc(/C=C/CC(C)C)oc1C
InChIInChI=1S/C12H19NO/c1-5-11-10(4)14-12(13-11)8-6-7-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+
InChIKeyNOGNOQQPEVLIHY-SOFGYWHQSA-N
MW193.29 g/mol
LogP3.60
Rot. Bonds4

About 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole

4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole (PubChem CID 173218397) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole
PubChem CID173218397
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole
SMILESCCc1nc(/C=C/CC(C)C)oc1C
InChIInChI=1S/C12H19NO/c1-5-11-10(4)14-12(13-11)8-6-7-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+
InChIKeyNOGNOQQPEVLIHY-SOFGYWHQSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-5-methyl-2-(1-methylethyl)oxazole
CID 586689
4-Ethyl-2-isobutyl-5-methyloxazole
CID 580607
2,5-Dimethyl-4-prop-2-enyl-1,3-oxazole
CID 15176130
4-Methyl-5-(2-methylidenebut-3-enyl)-2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazole
CID 134580655
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole
CID 143707719
2-(4-fluorocyclohepta-1,3,6-trien-1-yl)-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,3-oxazole
CID 144879705
(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
CID 176763527
2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 176763539
4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole
CID 15176124
4-Ethyl-2-(4-fluorocyclohepta-1,3-dien-1-yl)-5-methyl-1,3-oxazole
CID 142936155
4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole
CID 142936506

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole?
The IUPAC name of 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole (CID 173218397) is 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole is CCc1nc(/C=C/CC(C)C)oc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole?
The InChIKey is NOGNOQQPEVLIHY-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-11-10(4)14-12(13-11)8-6-7-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+.
What are the key properties of 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole?
4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole is sourced from PubChem (CID 173218397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).