N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide

C9H14N4O4S — CID 71785534

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(S(C)(=O)=O)C2)o1
InChIInChI=1S/C9H14N4O4S/c1-6-11-12-8(17-6)3-10-9(14)7-4-13(5-7)18(2,15)16/h7H,3-5H2,1-2H3,(H,10,14)
InChIKeyQPNUELQIMRNFNP-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.11
Rot. Bonds4

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 71785534) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
PubChem CID71785534
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(S(C)(=O)=O)C2)o1
InChIInChI=1S/C9H14N4O4S/c1-6-11-12-8(17-6)3-10-9(14)7-4-13(5-7)18(2,15)16/h7H,3-5H2,1-2H3,(H,10,14)
InChIKeyQPNUELQIMRNFNP-UHFFFAOYSA-N
XLogP-1.11
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513257
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110319587
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785197
(3S)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 97315326
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 95398944
N-[(2,6-difluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513195
1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide
CID 90513052
N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600552
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56860991
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide (CID 71785534) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide is Cc1nnc(CNC(=O)C2CN(S(C)(=O)=O)C2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is QPNUELQIMRNFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-6-11-12-8(17-6)3-10-9(14)7-4-13(5-7)18(2,15)16/h7H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of -1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).