N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C14H12ClN5O2S — CID 92659553

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C14H12ClN5O2S/c1-7-11(13(21)17-6-10-18-19-14(16)23-10)12(20-22-7)8-4-2-3-5-9(8)15/h2-5H,6H2,1H3,(H2,16,19)(H,17,21)
InChIKeyVVWUUXMIYCTKEV-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.67
Rot. Bonds4

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 92659553) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID92659553
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C14H12ClN5O2S/c1-7-11(13(21)17-6-10-18-19-14(16)23-10)12(20-22-7)8-4-2-3-5-9(8)15/h2-5H,6H2,1H3,(H2,16,19)(H,17,21)
InChIKeyVVWUUXMIYCTKEV-UHFFFAOYSA-N
XLogP2.67
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 92659553) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnc(N)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VVWUUXMIYCTKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c1-7-11(13(21)17-6-10-18-19-14(16)23-10)12(20-22-7)8-4-2-3-5-9(8)15/h2-5H,6H2,1H3,(H2,16,19)(H,17,21).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 349.80 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 92659553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).