3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine

C14H12ClFN2OS — CID 154453578

IUPAC3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(Cc2ccccc2F)O1
InChIInChI=1S/C14H12ClFN2OS/c15-13-6-5-12(20-13)11-7-14(17)19-18(11)8-9-3-1-2-4-10(9)16/h1-7,11H,8,17H2
InChIKeyQJJZNMFJWPPNHG-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.83
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine

3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine (PubChem CID 154453578) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
PubChem CID154453578
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC Name3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(Cc2ccccc2F)O1
InChIInChI=1S/C14H12ClFN2OS/c15-13-6-5-12(20-13)11-7-14(17)19-18(11)8-9-3-1-2-4-10(9)16/h1-7,11H,8,17H2
InChIKeyQJJZNMFJWPPNHG-UHFFFAOYSA-N
XLogP3.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063213
2-[(3,4-difluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063248
2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063401
3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063475
3-(5-chlorothiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063492
2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063496
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063506
3-(5-methylthiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063522
2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154329726
2-[(3-fluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154397935
3-(5-chlorothiophen-2-yl)-2-[(3-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453584
2-[(2-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154453593

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine (CID 154453578) is 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(Cl)s2)N(Cc2ccccc2F)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The InChIKey is QJJZNMFJWPPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c15-13-6-5-12(20-13)11-7-14(17)19-18(11)8-9-3-1-2-4-10(9)16/h1-7,11H,8,17H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine has a molecular weight of 310.78 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 154453578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).