3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline

C16H13ClN2O2 — CID 61035750

IUPAC3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
SMILESNc1cccc(OCc2coc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C16H13ClN2O2/c17-12-4-1-3-11(7-12)16-19-14(10-21-16)9-20-15-6-2-5-13(18)8-15/h1-8,10H,9,18H2
InChIKeyNWIIUZMYHAWUKE-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.16
Rot. Bonds4

About 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline

3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline (PubChem CID 61035750) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
PubChem CID61035750
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
SMILESNc1cccc(OCc2coc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C16H13ClN2O2/c17-12-4-1-3-11(7-12)16-19-14(10-21-16)9-20-15-6-2-5-13(18)8-15/h1-8,10H,9,18H2
InChIKeyNWIIUZMYHAWUKE-UHFFFAOYSA-N
XLogP4.16
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate
CID 60522785
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66230660
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
N-[3-[4-[(3-chlorophenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-5-amine
CID 139973934

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline?
The IUPAC name of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline (CID 61035750) is 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline is Nc1cccc(OCc2coc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline?
The InChIKey is NWIIUZMYHAWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-4-1-3-11(7-12)16-19-14(10-21-16)9-20-15-6-2-5-13(18)8-15/h1-8,10H,9,18H2.
What are the key properties of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline?
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline has a molecular weight of 300.75 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline is sourced from PubChem (CID 61035750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).