3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine

C13H16N2O2 — CID 82082438

IUPAC3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
SMILESCC(C)c1cccc(OCc2cc(N)on2)c1
InChIInChI=1S/C13H16N2O2/c1-9(2)10-4-3-5-12(6-10)16-8-11-7-13(14)17-15-11/h3-7,9H,8,14H2,1-2H3
InChIKeyHAFPPVAMBSKTND-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.96
Rot. Bonds4

About 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine

3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine (PubChem CID 82082438) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
PubChem CID82082438
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
SMILESCC(C)c1cccc(OCc2cc(N)on2)c1
InChIInChI=1S/C13H16N2O2/c1-9(2)10-4-3-5-12(6-10)16-8-11-7-13(14)17-15-11/h3-7,9H,8,14H2,1-2H3
InChIKeyHAFPPVAMBSKTND-UHFFFAOYSA-N
XLogP2.96
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082439
(1R)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 63365604
(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 79027120
3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82089694
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
N-[[5-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62452592
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55127790
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine (CID 82082438) is 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine is CC(C)c1cccc(OCc2cc(N)on2)c1.
What is the InChIKey of 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine?
The InChIKey is HAFPPVAMBSKTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)10-4-3-5-12(6-10)16-8-11-7-13(14)17-15-11/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine?
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine has a molecular weight of 232.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82082438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).