5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine

C14H18N2O — CID 117332870

IUPAC5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine
SMILESCCC(CC)c1cccc(-c2cc(N)no2)c1
InChIInChI=1S/C14H18N2O/c1-3-10(4-2)11-6-5-7-12(8-11)13-9-14(15)16-17-13/h5-10H,3-4H2,1-2H3,(H2,15,16)
InChIKeyHMVRQIJVRMEMAS-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.83
Rot. Bonds4

About 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine

5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 117332870) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine
PubChem CID117332870
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine
SMILESCCC(CC)c1cccc(-c2cc(N)no2)c1
InChIInChI=1S/C14H18N2O/c1-3-10(4-2)11-6-5-7-12(8-11)13-9-14(15)16-17-13/h5-10H,3-4H2,1-2H3,(H2,15,16)
InChIKeyHMVRQIJVRMEMAS-UHFFFAOYSA-N
XLogP3.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117493981
5-(2-methoxy-5-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117405267
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
CID 82472660
N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide
CID 117421444
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 66199211
4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
CID 117331143
5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326394
1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea
CID 117336131
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117330160

Frequently Asked Questions

What is the IUPAC name of 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine (CID 117332870) is 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine is CCC(CC)c1cccc(-c2cc(N)no2)c1.
What is the InChIKey of 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is HMVRQIJVRMEMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-10(4-2)11-6-5-7-12(8-11)13-9-14(15)16-17-13/h5-10H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117332870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).