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

C14H11ClN2O3 — CID 106687953

IUPAC3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccc(Cl)o3)noc2N)cc1
InChIInChI=1S/C14H11ClN2O3/c1-18-9-4-2-8(3-5-9)12-13(17-20-14(12)16)10-6-7-11(15)19-10/h2-7H,16H2,1H3
InChIKeyNBDLJKDFBXEGEV-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.85
Rot. Bonds3

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

3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 106687953) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID106687953
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccc(Cl)o3)noc2N)cc1
InChIInChI=1S/C14H11ClN2O3/c1-18-9-4-2-8(3-5-9)12-13(17-20-14(12)16)10-6-7-11(15)19-10/h2-7H,16H2,1H3
InChIKeyNBDLJKDFBXEGEV-UHFFFAOYSA-N
XLogP3.85
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 106687987
3-(5-methylfuran-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 43158036
3-(5-bromo-2-methylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine;ethane
CID 144602769
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 63798656
3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 123307499
3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983312
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 106687953) is 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3ccc(Cl)o3)noc2N)cc1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is NBDLJKDFBXEGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-18-9-4-2-8(3-5-9)12-13(17-20-14(12)16)10-6-7-11(15)19-10/h2-7H,16H2,1H3.
What are the key properties of 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 290.71 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106687953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).