3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C26H18ClFN4O3 — CID 92711128

IUPAC3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F
InChIInChI=1S/C26H18ClFN4O3/c1-15-21(22(32-35-15)17-11-5-7-13-19(17)27)24(33)29-23(18-12-6-8-14-20(18)28)26-31-30-25(34-26)16-9-3-2-4-10-16/h2-14,23H,1H3,(H,29,33)/t23-/m0/s1
InChIKeyUYKWOTAFVMSKDR-QHCPKHFHSA-N
MW488.91 g/mol
LogP6.01
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 92711128) has the molecular formula C26H18ClFN4O3 and a molecular weight of 488.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID92711128
Molecular FormulaC26H18ClFN4O3
Molecular Weight488.91 g/mol
Exact Mass488.11
IUPAC Name3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F
InChIInChI=1S/C26H18ClFN4O3/c1-15-21(22(32-35-15)17-11-5-7-13-19(17)27)24(33)29-23(18-12-6-8-14-20(18)28)26-31-30-25(34-26)16-9-3-2-4-10-16/h2-14,23H,1H3,(H,29,33)/t23-/m0/s1
InChIKeyUYKWOTAFVMSKDR-QHCPKHFHSA-N
XLogP6.01
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.91
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 20960250
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
5-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 22434124
5-chloro-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700778
3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethoxybenzamide
CID 27017983
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 92711139
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
CID 27088552
2,6-difluoro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46345862
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 92711135
N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 23004512
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 41143426

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 92711128) is 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UYKWOTAFVMSKDR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H18ClFN4O3/c1-15-21(22(32-35-15)17-11-5-7-13-19(17)27)24(33)29-23(18-12-6-8-14-20(18)28)26-31-30-25(34-26)16-9-3-2-4-10-16/h2-14,23H,1H3,(H,29,33)/t23-/m0/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 488.91 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 92711128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).