N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine

C16H22N2O2 — CID 65183599

IUPACN-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2cccc(OC(C)C)c2)o1
InChIInChI=1S/C16H22N2O2/c1-4-8-17-11-16-18-10-15(20-16)13-6-5-7-14(9-13)19-12(2)3/h5-7,9-10,12,17H,4,8,11H2,1-3H3
InChIKeyPOBJLQAURGTHKU-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds7

About N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine

N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65183599) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65183599
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2cccc(OC(C)C)c2)o1
InChIInChI=1S/C16H22N2O2/c1-4-8-17-11-16-18-10-15(20-16)13-6-5-7-14(9-13)19-12(2)3/h5-7,9-10,12,17H,4,8,11H2,1-3H3
InChIKeyPOBJLQAURGTHKU-UHFFFAOYSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365
N-methyl-2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182987
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
CID 65179365
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148
N-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184286
N-ethyl-1-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181800
N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184232
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141
5-[3-[(2S)-butan-2-yl]oxyphenyl]-2-(chloromethyl)-1,3-oxazole
CID 124500413
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81488017
N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280499
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65183599) is N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(-c2cccc(OC(C)C)c2)o1.
What is the InChIKey of N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is POBJLQAURGTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-8-17-11-16-18-10-15(20-16)13-6-5-7-14(9-13)19-12(2)3/h5-7,9-10,12,17H,4,8,11H2,1-3H3.
What are the key properties of N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65183599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).