1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

C15H20FN3O2 — CID 79230520

IUPAC1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCc1noc(C)c1CNc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H20FN3O2/c1-8(2)20-15-6-14(13(17)5-12(15)16)18-7-11-9(3)19-21-10(11)4/h5-6,8,18H,7,17H2,1-4H3
InChIKeyIQWARSWERZATFY-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.41
Rot. Bonds5

About 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 79230520) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID79230520
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCc1noc(C)c1CNc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H20FN3O2/c1-8(2)20-15-6-14(13(17)5-12(15)16)18-7-11-9(3)19-21-10(11)4/h5-6,8,18H,7,17H2,1-4H3
InChIKeyIQWARSWERZATFY-UHFFFAOYSA-N
XLogP3.41
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592246
4-fluoro-1-N-[(3-methylphenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592243
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 79225192
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
4-fluoro-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592421
4-fluoro-5-propan-2-yloxy-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,2-diamine
CID 64545724
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
4-fluoro-1-N-[(E)-pent-3-enyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 113465312
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dimethoxyaniline
CID 34068779
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
CID 83116533

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (CID 79230520) is 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is Cc1noc(C)c1CNc1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is IQWARSWERZATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-8(2)20-15-6-14(13(17)5-12(15)16)18-7-11-9(3)19-21-10(11)4/h5-6,8,18H,7,17H2,1-4H3.
What are the key properties of 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 293.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 79230520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).