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

C17H15ClN4O3 — CID 97157679

IUPACN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCc1nc([C@@H](NC(=O)c2cc(C3CC3)on2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H15ClN4O3/c1-9-19-16(22-24-9)15(11-4-6-12(18)7-5-11)20-17(23)13-8-14(25-21-13)10-2-3-10/h4-8,10,15H,2-3H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyFPEDFBVTWSIXEY-HNNXBMFYSA-N
MW358.79 g/mol
LogP3.42
Rot. Bonds5

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

N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 97157679) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID97157679
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCc1nc([C@@H](NC(=O)c2cc(C3CC3)on2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H15ClN4O3/c1-9-19-16(22-24-9)15(11-4-6-12(18)7-5-11)20-17(23)13-8-14(25-21-13)10-2-3-10/h4-8,10,15H,2-3H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyFPEDFBVTWSIXEY-HNNXBMFYSA-N
XLogP3.42
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 97157679) is N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is Cc1nc([C@@H](NC(=O)c2cc(C3CC3)on2)c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is FPEDFBVTWSIXEY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-9-19-16(22-24-9)15(11-4-6-12(18)7-5-11)20-17(23)13-8-14(25-21-13)10-2-3-10/h4-8,10,15H,2-3H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97157679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).