2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole

C14H21NO — CID 123149554

IUPAC2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole
SMILESC=CC(C)(C)c1oc(C)nc1C(=C)C(C)C
InChIInChI=1S/C14H21NO/c1-8-14(6,7)13-12(10(4)9(2)3)15-11(5)16-13/h8-9H,1,4H2,2-3,5-7H3
InChIKeyYAPMDNAVGWUILG-UHFFFAOYSA-N
MW219.33 g/mol
LogP4.12
Rot. Bonds4

About 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole

2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole (PubChem CID 123149554) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole
PubChem CID123149554
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole
SMILESC=CC(C)(C)c1oc(C)nc1C(=C)C(C)C
InChIInChI=1S/C14H21NO/c1-8-14(6,7)13-12(10(4)9(2)3)15-11(5)16-13/h8-9H,1,4H2,2-3,5-7H3
InChIKeyYAPMDNAVGWUILG-UHFFFAOYSA-N
XLogP4.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Isobutyl-2,5-dimethyl-1,3-oxazole
CID 24975194
5-Allyl-4-butyl-2-methyl-1,3-oxazole
CID 384230
4-Butyl-5-isopropyl-2-methyl-1,3-oxazole
CID 384231
Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
2-Methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292478
4-Allyl-2-tert-butyl-5-ethyl-oxazole
CID 21949625
2,5-Dimethyl-4-pentan-3-yl-1,3-oxazole
CID 58018002
2,5,6-Trimethyl-4,7-dimethylidene-1,3-benzoxazole
CID 58975922
2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole
CID 70478948
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363986
2,5-Dimethyl-4-pent-2-en-3-yl-1,3-oxazole
CID 90849363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole?
The IUPAC name of 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole (CID 123149554) is 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole?
The canonical SMILES for 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole is C=CC(C)(C)c1oc(C)nc1C(=C)C(C)C.
What is the InChIKey of 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole?
The InChIKey is YAPMDNAVGWUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-8-14(6,7)13-12(10(4)9(2)3)15-11(5)16-13/h8-9H,1,4H2,2-3,5-7H3.
What are the key properties of 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole?
2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole has a molecular weight of 219.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylbut-3-en-2-yl)-4-(3-methylbut-1-en-2-yl)-1,3-oxazole is sourced from PubChem (CID 123149554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).