4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine

C12H13ClN2O3 — CID 117425195

IUPAC4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1cc(OC)c(Cl)cc1-c1cnoc1N
InChIInChI=1S/C12H13ClN2O3/c1-16-6-7-3-11(17-2)10(13)4-8(7)9-5-15-18-12(9)14/h3-5H,6,14H2,1-2H3
InChIKeyOWBIZNATUOKRJA-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.73
Rot. Bonds4

About 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine

4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117425195) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117425195
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1cc(OC)c(Cl)cc1-c1cnoc1N
InChIInChI=1S/C12H13ClN2O3/c1-16-6-7-3-11(17-2)10(13)4-8(7)9-5-15-18-12(9)14/h3-5H,6,14H2,1-2H3
InChIKeyOWBIZNATUOKRJA-UHFFFAOYSA-N
XLogP2.73
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117352525
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
CID 117475333
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199
4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (CID 117425195) is 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is COCc1cc(OC)c(Cl)cc1-c1cnoc1N.
What is the InChIKey of 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is OWBIZNATUOKRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-16-6-7-3-11(17-2)10(13)4-8(7)9-5-15-18-12(9)14/h3-5H,6,14H2,1-2H3.
What are the key properties of 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 268.70 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117425195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).