4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine

C11H11ClN2O2 — CID 117349779

IUPAC4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(Cl)c(C)c1-c1cnoc1N
InChIInChI=1S/C11H11ClN2O2/c1-6-8(12)3-4-9(15-2)10(6)7-5-14-16-11(7)13/h3-5H,13H2,1-2H3
InChIKeyPAURQSWQWQSYDJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.89
Rot. Bonds2

About 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine

4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117349779) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117349779
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(Cl)c(C)c1-c1cnoc1N
InChIInChI=1S/C11H11ClN2O2/c1-6-8(12)3-4-9(15-2)10(6)7-5-14-16-11(7)13/h3-5H,13H2,1-2H3
InChIKeyPAURQSWQWQSYDJ-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine (CID 117349779) is 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine is COc1ccc(Cl)c(C)c1-c1cnoc1N.
What is the InChIKey of 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is PAURQSWQWQSYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6-8(12)3-4-9(15-2)10(6)7-5-14-16-11(7)13/h3-5H,13H2,1-2H3.
What are the key properties of 4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine?
4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-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-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117349779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).