N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

C18H17N5O3S — CID 26390974

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cc(-c2nnc(CCC(=O)N(C)Cc3nc4ccccc4s3)o2)no1
InChIInChI=1S/C18H17N5O3S/c1-11-9-13(22-26-11)18-21-20-15(25-18)7-8-17(24)23(2)10-16-19-12-5-3-4-6-14(12)27-16/h3-6,9H,7-8,10H2,1-2H3
InChIKeyANZCMILGOOFZHI-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.23
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 26390974) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID26390974
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cc(-c2nnc(CCC(=O)N(C)Cc3nc4ccccc4s3)o2)no1
InChIInChI=1S/C18H17N5O3S/c1-11-9-13(22-26-11)18-21-20-15(25-18)7-8-17(24)23(2)10-16-19-12-5-3-4-6-14(12)27-16/h3-6,9H,7-8,10H2,1-2H3
InChIKeyANZCMILGOOFZHI-UHFFFAOYSA-N
XLogP3.23
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 26390974) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1cc(-c2nnc(CCC(=O)N(C)Cc3nc4ccccc4s3)o2)no1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ANZCMILGOOFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-11-9-13(22-26-11)18-21-20-15(25-18)7-8-17(24)23(2)10-16-19-12-5-3-4-6-14(12)27-16/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 383.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 26390974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).