2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid

C15H10ClNO3S — CID 13105440

IUPAC2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1
InChIInChI=1S/C15H10ClNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19)
InChIKeyLXRZJWGWQXLDPV-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.35
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid

2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (PubChem CID 13105440) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
PubChem CID13105440
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1
InChIInChI=1S/C15H10ClNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19)
InChIKeyLXRZJWGWQXLDPV-UHFFFAOYSA-N
XLogP4.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phenylpropanoic acid derivative, 17a
CID 44246273
2-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(thiophen-2-YL)methyl]acetamide
CID 9550453
4-(5-Chloro-thiophen-2-yl)-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 11725645
4-[4-(5-Chloro-thiophen-2-yl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 15871000
4-Oxazoleacetic acid, 2-(p-fluorophenyl)-5-(3-thienyl)-
CID 3069787
2-({[2-(2-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methyl}sulfanyl)acetic acid
CID 6624341
1-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]-N-(2-thenyl)isonipecotamide
CID 9550965
({[2-(3-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetic acid
CID 9551422
5-(5-Chloro-thiophen-2-yl)-4-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 15429226
3-[4-(4-Chlorophenyl)-5-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 155539833
Ethyl 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetate
CID 5309086
N-butyl-5-(4-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 53382908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (CID 13105440) is 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The InChIKey is LXRZJWGWQXLDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid has a molecular weight of 319.77 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 13105440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).