N-butyl-4-ethyl-1,3-oxazol-5-amine

C9H16N2O — CID 173158991

IUPACN-butyl-4-ethyl-1,3-oxazol-5-amine
SMILESCCCCNc1ocnc1CC
InChIInChI=1S/C9H16N2O/c1-3-5-6-10-9-8(4-2)11-7-12-9/h7,10H,3-6H2,1-2H3
InChIKeyWCQRANDJEWOWFJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds5

About N-butyl-4-ethyl-1,3-oxazol-5-amine

N-butyl-4-ethyl-1,3-oxazol-5-amine (PubChem CID 173158991) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-butyl-4-ethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-butyl-4-ethyl-1,3-oxazol-5-amine
PubChem CID173158991
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-butyl-4-ethyl-1,3-oxazol-5-amine
SMILESCCCCNc1ocnc1CC
InChIInChI=1S/C9H16N2O/c1-3-5-6-10-9-8(4-2)11-7-12-9/h7,10H,3-6H2,1-2H3
InChIKeyWCQRANDJEWOWFJ-UHFFFAOYSA-N
XLogP2.45
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
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-butyl-3,4-dimethyl-1,2-oxazol-5-amine
CID 154191592
2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide
CID 167926313
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112605899
N-butyl-3-ethyl-1-pentylpyrazol-4-amine
CID 56609100
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
CID 18737835
N-butylpyridin-2-amine
CID 14322668
4-butyl-5-phenyl-1,3-oxazole
CID 119082964
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
N-butylpyrimidin-5-amine
CID 54172306
5-(2-methylpropyl)-4-propyl-1,3-oxazole
CID 88974463

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-1,3-oxazol-5-amine?
The IUPAC name of N-butyl-4-ethyl-1,3-oxazol-5-amine (CID 173158991) is N-butyl-4-ethyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-butyl-4-ethyl-1,3-oxazol-5-amine?
The canonical SMILES for N-butyl-4-ethyl-1,3-oxazol-5-amine is CCCCNc1ocnc1CC.
What is the InChIKey of N-butyl-4-ethyl-1,3-oxazol-5-amine?
The InChIKey is WCQRANDJEWOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-6-10-9-8(4-2)11-7-12-9/h7,10H,3-6H2,1-2H3.
What are the key properties of N-butyl-4-ethyl-1,3-oxazol-5-amine?
N-butyl-4-ethyl-1,3-oxazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 173158991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).