3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide

C18H13ClF2N2O2 — CID 16591135

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13ClF2N2O2/c19-12-3-1-11(2-4-12)16-10-22-18(25-16)8-7-17(24)23-15-6-5-13(20)9-14(15)21/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyPQTZIFQDAWYHHR-UHFFFAOYSA-N
MW362.76 g/mol
LogP4.84
Rot. Bonds5

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide (PubChem CID 16591135) has the molecular formula C18H13ClF2N2O2 and a molecular weight of 362.76 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide
PubChem CID16591135
Molecular FormulaC18H13ClF2N2O2
Molecular Weight362.76 g/mol
Exact Mass362.06
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13ClF2N2O2/c19-12-3-1-11(2-4-12)16-10-22-18(25-16)8-7-17(24)23-15-6-5-13(20)9-14(15)21/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyPQTZIFQDAWYHHR-UHFFFAOYSA-N
XLogP4.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758
7-(4-Chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16737010
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-[5-(4-Chlorophenyl)-1,3-Oxazol-2-Yl]benzamide
CID 13626914
7-[5-[4-(4-chlorophenyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxyheptanamide
CID 9952732
4-Chloro-N-(4-(5-oxazolyl)phenyl)benzamide
CID 2739168
1-(5-(3-Aminophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110637
2-chloro-N-(4-(5-phenyloxazol-2-yl)phenyl)benzamide
CID 44549004
N-(3-Chloro-4-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959100
N-(2-Chloro-4-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959104
4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide
CID 44532537
N-(4-chloro-3-fluorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 164625299

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide (CID 16591135) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1F.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is PQTZIFQDAWYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2/c19-12-3-1-11(2-4-12)16-10-22-18(25-16)8-7-17(24)23-15-6-5-13(20)9-14(15)21/h1-6,9-10H,7-8H2,(H,23,24).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 362.76 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 16591135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).