N-butyl-3,4-dimethyl-1,2-oxazol-5-amine

C9H16N2O — CID 154191592

IUPACN-butyl-3,4-dimethyl-1,2-oxazol-5-amine
SMILESCCCCNc1onc(C)c1C
InChIInChI=1S/C9H16N2O/c1-4-5-6-10-9-7(2)8(3)11-12-9/h10H,4-6H2,1-3H3
InChIKeyGFOVKHAGSOLEIR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.50
Rot. Bonds4

About N-butyl-3,4-dimethyl-1,2-oxazol-5-amine

N-butyl-3,4-dimethyl-1,2-oxazol-5-amine (PubChem CID 154191592) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-butyl-3,4-dimethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-butyl-3,4-dimethyl-1,2-oxazol-5-amine
PubChem CID154191592
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-butyl-3,4-dimethyl-1,2-oxazol-5-amine
SMILESCCCCNc1onc(C)c1C
InChIInChI=1S/C9H16N2O/c1-4-5-6-10-9-7(2)8(3)11-12-9/h10H,4-6H2,1-3H3
InChIKeyGFOVKHAGSOLEIR-UHFFFAOYSA-N
XLogP2.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-3,5-dimethyl-1,2-oxazol-4-amine
CID 150808567
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
CID 115672493
3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine
CID 130639832
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
CID 114291610
N-butyl-4-ethyl-1,3-oxazol-5-amine
CID 173158991
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 65479983
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2,2-dimethylpropanamide
CID 115426793
N-butyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547243
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dimethyl-1,2-oxazol-5-amine?
The IUPAC name of N-butyl-3,4-dimethyl-1,2-oxazol-5-amine (CID 154191592) is N-butyl-3,4-dimethyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-butyl-3,4-dimethyl-1,2-oxazol-5-amine?
The canonical SMILES for N-butyl-3,4-dimethyl-1,2-oxazol-5-amine is CCCCNc1onc(C)c1C.
What is the InChIKey of N-butyl-3,4-dimethyl-1,2-oxazol-5-amine?
The InChIKey is GFOVKHAGSOLEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-6-10-9-7(2)8(3)11-12-9/h10H,4-6H2,1-3H3.
What are the key properties of N-butyl-3,4-dimethyl-1,2-oxazol-5-amine?
N-butyl-3,4-dimethyl-1,2-oxazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dimethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 154191592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).