3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine

C12H14N2O3S — CID 82487019

IUPAC3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C12H14N2O3S/c1-8(2)18(15,16)10-5-3-9(4-6-10)11-7-12(13)17-14-11/h3-8H,13H2,1-2H3
InChIKeyRKDGVOKHTDUJDK-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.11
Rot. Bonds3

About 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine

3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 82487019) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID82487019
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C12H14N2O3S/c1-8(2)18(15,16)10-5-3-9(4-6-10)11-7-12(13)17-14-11/h3-8H,13H2,1-2H3
InChIKeyRKDGVOKHTDUJDK-UHFFFAOYSA-N
XLogP2.11
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
3-[3-[4-(aminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472343
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;hydrate;hydrochloride
CID 71548356
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;dihydrochloride
CID 71547631
5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine
CID 122644861
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460
N-methyl-1-[4-[5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanamine
CID 53495170
3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117494983
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
2-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]guanidine;dihydrochloride
CID 167438357
N'-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]ethanimidamide;dihydrochloride
CID 167438362

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine (CID 82487019) is 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine is CC(C)S(=O)(=O)c1ccc(-c2cc(N)on2)cc1.
What is the InChIKey of 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is RKDGVOKHTDUJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8(2)18(15,16)10-5-3-9(4-6-10)11-7-12(13)17-14-11/h3-8H,13H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine?
3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine has a molecular weight of 266.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82487019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).