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

C12H14N2O2 — CID 82472063

IUPAC5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCC(C)Oc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C12H14N2O2/c1-8(2)15-10-5-3-9(4-6-10)11-7-12(13)14-16-11/h3-8H,1-2H3,(H2,13,14)
InChIKeyYDSVQTSEHBWHCH-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.71
Rot. Bonds3

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

5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (PubChem CID 82472063) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
PubChem CID82472063
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCC(C)Oc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C12H14N2O2/c1-8(2)15-10-5-3-9(4-6-10)11-7-12(13)14-16-11/h3-8H,1-2H3,(H2,13,14)
InChIKeyYDSVQTSEHBWHCH-UHFFFAOYSA-N
XLogP2.71
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
[4-(3-amino-1,2-oxazol-5-yl)phenyl] carbamate
CID 175331108
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823937
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904581
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
5-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117449852
5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117404768
5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine
CID 82467912
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 66199211
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (CID 82472063) is 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is CC(C)Oc1ccc(-c2cc(N)no2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is YDSVQTSEHBWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)15-10-5-3-9(4-6-10)11-7-12(13)14-16-11/h3-8H,1-2H3,(H2,13,14).
What are the key properties of 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82472063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).