[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol

C15H13ClN2O2S — CID 71985215

IUPAC[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C15H13ClN2O2S/c16-11-4-3-10(9-19)6-12(11)17-8-15-18-7-13(20-15)14-2-1-5-21-14/h1-7,17,19H,8-9H2
InChIKeyVCFLSXSYKDGGFF-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.16
Rot. Bonds5

About [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol

[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol (PubChem CID 71985215) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol
PubChem CID71985215
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C15H13ClN2O2S/c16-11-4-3-10(9-19)6-12(11)17-8-15-18-7-13(20-15)14-2-1-5-21-14/h1-7,17,19H,8-9H2
InChIKeyVCFLSXSYKDGGFF-UHFFFAOYSA-N
XLogP4.16
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
2-chloro-N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-[[(R)-methylsulfinyl]methyl]aniline
CID 99504465
[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol
CID 110929576
[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
CID 111777982
2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
CID 75377923
2-[[(S)-(3,4-dimethylphenyl)sulfinyl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97031157
2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 99698939
3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
CID 71985226
1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 86789550
2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
CID 84586423
1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272624
4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol
CID 111457014

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol?
The IUPAC name of [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol (CID 71985215) is [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol?
The canonical SMILES for [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol is OCc1ccc(Cl)c(NCc2ncc(-c3cccs3)o2)c1.
What is the InChIKey of [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol?
The InChIKey is VCFLSXSYKDGGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-11-4-3-10(9-19)6-12(11)17-8-15-18-7-13(20-15)14-2-1-5-21-14/h1-7,17,19H,8-9H2.
What are the key properties of [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol?
[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol has a molecular weight of 320.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 71985215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).