4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine

C16H16N2OS — CID 43336217

IUPAC4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(-c3cccs3)noc2N)cc1
InChIInChI=1S/C16H16N2OS/c1-10(2)11-5-7-12(8-6-11)14-15(18-19-16(14)17)13-4-3-9-20-13/h3-10H,17H2,1-2H3
InChIKeyMNSKYWXTDMAHEK-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.78
Rot. Bonds3

About 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine

4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 43336217) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID43336217
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(-c3cccs3)noc2N)cc1
InChIInChI=1S/C16H16N2OS/c1-10(2)11-5-7-12(8-6-11)14-15(18-19-16(14)17)13-4-3-9-20-13/h3-10H,17H2,1-2H3
InChIKeyMNSKYWXTDMAHEK-UHFFFAOYSA-N
XLogP4.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 79802924
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 114821364
4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63079960
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 107972780
3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104853233
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55078987
3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 80645292
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine (CID 43336217) is 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine is CC(C)c1ccc(-c2c(-c3cccs3)noc2N)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is MNSKYWXTDMAHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10(2)11-5-7-12(8-6-11)14-15(18-19-16(14)17)13-4-3-9-20-13/h3-10H,17H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine?
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 284.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 43336217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).