2-hexan-3-yl-4,5-dimethyl-1,3-oxazole

C11H19NO — CID 142883987

IUPAC2-hexan-3-yl-4,5-dimethyl-1,3-oxazole
SMILESCCCC(CC)c1nc(C)c(C)o1
InChIInChI=1S/C11H19NO/c1-5-7-10(6-2)11-12-8(3)9(4)13-11/h10H,5-7H2,1-4H3
InChIKeyPAVCHMUOGHOIOS-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.59
Rot. Bonds4

About 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole

2-hexan-3-yl-4,5-dimethyl-1,3-oxazole (PubChem CID 142883987) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-hexan-3-yl-4,5-dimethyl-1,3-oxazole
PubChem CID142883987
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-hexan-3-yl-4,5-dimethyl-1,3-oxazole
SMILESCCCC(CC)c1nc(C)c(C)o1
InChIInChI=1S/C11H19NO/c1-5-7-10(6-2)11-12-8(3)9(4)13-11/h10H,5-7H2,1-4H3
InChIKeyPAVCHMUOGHOIOS-UHFFFAOYSA-N
XLogP3.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole
CID 170383410
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
6-hexan-3-yl-2-methylpyridine-3-carbaldehyde
CID 175979795
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpentan-2-amine
CID 106927844
1-hexan-3-yl-2,3-dimethylcyclopropene
CID 123742761
3-hexan-3-yl-2-methylpyridine
CID 143825062
2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65223012
5-methyl-2-(6-methylheptan-3-yl)-1,3-benzoxazole
CID 144503892
3-heptan-4-yl-5-methylpyridine
CID 134266506
2-(chloromethyl)-5-heptan-4-yl-1,3,4-oxadiazole
CID 82984323
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 114180296
5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole
CID 141088768

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole (CID 142883987) is 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole is CCCC(CC)c1nc(C)c(C)o1.
What is the InChIKey of 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole?
The InChIKey is PAVCHMUOGHOIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-10(6-2)11-12-8(3)9(4)13-11/h10H,5-7H2,1-4H3.
What are the key properties of 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole?
2-hexan-3-yl-4,5-dimethyl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 142883987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).