3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline

C15H19ClN2O2 — CID 60934618

IUPAC3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2c(C)noc2C)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-4-7-19-15-6-5-12(8-14(15)16)17-9-13-10(2)18-20-11(13)3/h5-6,8,17H,4,7,9H2,1-3H3
InChIKeyJBTBOZIDICPJKS-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.35
Rot. Bonds6

About 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline

3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline (PubChem CID 60934618) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline
PubChem CID60934618
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2c(C)noc2C)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-4-7-19-15-6-5-12(8-14(15)16)17-9-13-10(2)18-20-11(13)3/h5-6,8,17H,4,7,9H2,1-3H3
InChIKeyJBTBOZIDICPJKS-UHFFFAOYSA-N
XLogP4.35
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(3,5-dimethylphenyl)methyl]-4-propoxyaniline
CID 63451065
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
CID 60980472
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyaniline
CID 63997036
3-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propoxyaniline
CID 55114654
2-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzonitrile
CID 43425609
3-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
CID 63451154
3-chloro-N-[(4-methylsulfanylphenyl)methyl]-4-propoxyaniline
CID 63450802
3-chloro-4-propoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409189
3-chloro-N-[(1-methyltriazol-4-yl)methyl]-4-propoxyaniline
CID 55113512
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452683
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275
4-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 28781531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline?
The IUPAC name of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline (CID 60934618) is 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline.
What is the SMILES notation for 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline?
The canonical SMILES for 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline is CCCOc1ccc(NCc2c(C)noc2C)cc1Cl.
What is the InChIKey of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline?
The InChIKey is JBTBOZIDICPJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-7-19-15-6-5-12(8-14(15)16)17-9-13-10(2)18-20-11(13)3/h5-6,8,17H,4,7,9H2,1-3H3.
What are the key properties of 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline?
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline has a molecular weight of 294.78 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline is sourced from PubChem (CID 60934618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).