4-methyl-2-pentan-2-yl-1,3-oxazole

C9H15NO — CID 145099076

IUPAC4-methyl-2-pentan-2-yl-1,3-oxazole
SMILESCCCC(C)c1nc(C)co1
InChIInChI=1S/C9H15NO/c1-4-5-7(2)9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3
InChIKeyDTNNHWOSXRHCJA-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.89
Rot. Bonds3

About 4-methyl-2-pentan-2-yl-1,3-oxazole

4-methyl-2-pentan-2-yl-1,3-oxazole (PubChem CID 145099076) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methyl-2-pentan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-pentan-2-yl-1,3-oxazole
PubChem CID145099076
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methyl-2-pentan-2-yl-1,3-oxazole
SMILESCCCC(C)c1nc(C)co1
InChIInChI=1S/C9H15NO/c1-4-5-7(2)9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3
InChIKeyDTNNHWOSXRHCJA-UHFFFAOYSA-N
XLogP2.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine
CID 82416558
2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 161037098
2-methyl-1-(4-methyl-1,3-oxazol-2-yl)propan-1-ol
CID 13159076
3-amino-1-(4-methyl-1,3-oxazol-2-yl)propan-1-ol
CID 82416174
4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole
CID 137430047
2-[(2S)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 162015662
N-[(1S)-1-(4-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 102227163
2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
CID 82415982
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol
CID 10975920
2-butan-2-yl-4-(chloromethyl)-1,3-oxazole
CID 15726803
(4-methyl-1,3-oxazol-2-yl)methanethiol
CID 117186792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentan-2-yl-1,3-oxazole?
The IUPAC name of 4-methyl-2-pentan-2-yl-1,3-oxazole (CID 145099076) is 4-methyl-2-pentan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-pentan-2-yl-1,3-oxazole?
The canonical SMILES for 4-methyl-2-pentan-2-yl-1,3-oxazole is CCCC(C)c1nc(C)co1.
What is the InChIKey of 4-methyl-2-pentan-2-yl-1,3-oxazole?
The InChIKey is DTNNHWOSXRHCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-7(2)9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-pentan-2-yl-1,3-oxazole?
4-methyl-2-pentan-2-yl-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentan-2-yl-1,3-oxazole is sourced from PubChem (CID 145099076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).