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

C14H11ClN2O2S — CID 62500702

IUPAC3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1noc(N)c1-c1cccs1
InChIInChI=1S/C14H11ClN2O2S/c1-18-10-5-4-8(15)7-9(10)13-12(14(16)19-17-13)11-3-2-6-20-11/h2-7H,16H2,1H3
InChIKeyDVYLBWMMHOVMPP-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.31
Rot. Bonds3

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

3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62500702) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62500702
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1noc(N)c1-c1cccs1
InChIInChI=1S/C14H11ClN2O2S/c1-18-10-5-4-8(15)7-9(10)13-12(14(16)19-17-13)11-3-2-6-20-11/h2-7H,16H2,1H3
InChIKeyDVYLBWMMHOVMPP-UHFFFAOYSA-N
XLogP4.31
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62500702) is 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is COc1ccc(Cl)cc1-c1noc(N)c1-c1cccs1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is DVYLBWMMHOVMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-18-10-5-4-8(15)7-9(10)13-12(14(16)19-17-13)11-3-2-6-20-11/h2-7H,16H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 306.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62500702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).