4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine

C11H11ClN2O3 — CID 117389663

IUPAC4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Cl)c(-c2cnoc2N)cc1OC
InChIInChI=1S/C11H11ClN2O3/c1-15-9-3-6(7-5-14-17-11(7)13)8(12)4-10(9)16-2/h3-5H,13H2,1-2H3
InChIKeyCXSMOLJDKFDITP-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.59
Rot. Bonds3

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

4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117389663) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117389663
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Cl)c(-c2cnoc2N)cc1OC
InChIInChI=1S/C11H11ClN2O3/c1-15-9-3-6(7-5-14-17-11(7)13)8(12)4-10(9)16-2/h3-5H,13H2,1-2H3
InChIKeyCXSMOLJDKFDITP-UHFFFAOYSA-N
XLogP2.59
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
CID 117475333
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117425195
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 117389663) is 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine is COc1cc(Cl)c(-c2cnoc2N)cc1OC.
What is the InChIKey of 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is CXSMOLJDKFDITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-15-9-3-6(7-5-14-17-11(7)13)8(12)4-10(9)16-2/h3-5H,13H2,1-2H3.
What are the key properties of 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 254.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117389663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).