4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole

C14H21NO — CID 91153724

IUPAC4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1ocnc1C(=CC)CCC(C)C
InChIInChI=1S/C14H21NO/c1-6-12(8-7-10(2)3)13-14(11(4)5)16-9-15-13/h6,9-10H,4,7-8H2,1-3,5H3
InChIKeyQQSHVQKLZOVJQU-UHFFFAOYSA-N
MW219.33 g/mol
LogP4.55
Rot. Bonds5

About 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole

4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole (PubChem CID 91153724) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole
PubChem CID91153724
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1ocnc1C(=CC)CCC(C)C
InChIInChI=1S/C14H21NO/c1-6-12(8-7-10(2)3)13-14(11(4)5)16-9-15-13/h6,9-10H,4,7-8H2,1-3,5H3
InChIKeyQQSHVQKLZOVJQU-UHFFFAOYSA-N
XLogP4.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole (CID 91153724) is 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole is C=C(C)c1ocnc1C(=CC)CCC(C)C.
What is the InChIKey of 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is QQSHVQKLZOVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-6-12(8-7-10(2)3)13-14(11(4)5)16-9-15-13/h6,9-10H,4,7-8H2,1-3,5H3.
What are the key properties of 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole?
4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole has a molecular weight of 219.33 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 91153724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).