3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine

C16H13ClN2O2 — CID 3829147

IUPAC3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OCc3ccccc3)c(Cl)c2)no1
InChIInChI=1S/C16H13ClN2O2/c17-13-8-12(14-9-16(18)21-19-14)6-7-15(13)20-10-11-4-2-1-3-5-11/h1-9H,10,18H2
InChIKeyJTEFFAMECHOLFE-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.16
Rot. Bonds4

About 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine

3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 3829147) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID3829147
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OCc3ccccc3)c(Cl)c2)no1
InChIInChI=1S/C16H13ClN2O2/c17-13-8-12(14-9-16(18)21-19-14)6-7-15(13)20-10-11-4-2-1-3-5-11/h1-9H,10,18H2
InChIKeyJTEFFAMECHOLFE-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

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Related Compounds

3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-(3-nitro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3806355
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole
CID 58913514
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
4-amino-N'-(3-chloro-4-phenylmethoxyphenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 135424956

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine (CID 3829147) is 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(OCc3ccccc3)c(Cl)c2)no1.
What is the InChIKey of 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is JTEFFAMECHOLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-8-12(14-9-16(18)21-19-14)6-7-15(13)20-10-11-4-2-1-3-5-11/h1-9H,10,18H2.
What are the key properties of 3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine 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-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3829147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).