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

C11H11ClN2O2 — CID 82476965

IUPAC4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-6-10(11(13)14-16-6)7-3-4-9(15-2)8(12)5-7/h3-5H,1-2H3,(H2,13,14)
InChIKeyYTODQKOYZAIMHQ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.89
Rot. Bonds2

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

4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 82476965) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID82476965
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-6-10(11(13)14-16-6)7-3-4-9(15-2)8(12)5-7/h3-5H,1-2H3,(H2,13,14)
InChIKeyYTODQKOYZAIMHQ-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
CID 82092078
4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 19608718
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
CID 82091592
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine
CID 90655987
5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
CID 82482114
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine (CID 82476965) is 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine is COc1ccc(-c2c(N)noc2C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is YTODQKOYZAIMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6-10(11(13)14-16-6)7-3-4-9(15-2)8(12)5-7/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 238.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 82476965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).