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

C14H17N5O2S — CID 91781941

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)c1cnc(SC)nc1
InChIInChI=1S/C14H17N5O2S/c1-3-19(8-11-17-12(21-18-11)9-4-5-9)13(20)10-6-15-14(22-2)16-7-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeyOHCHPKHEDUWDIH-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.12
Rot. Bonds6

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 91781941) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID91781941
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)c1cnc(SC)nc1
InChIInChI=1S/C14H17N5O2S/c1-3-19(8-11-17-12(21-18-11)9-4-5-9)13(20)10-6-15-14(22-2)16-7-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeyOHCHPKHEDUWDIH-UHFFFAOYSA-N
XLogP2.12
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-sulfamoylbenzamide
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N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
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N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
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1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
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1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide
CID 165421747
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 91781941) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide is CCN(Cc1noc(C2CC2)n1)C(=O)c1cnc(SC)nc1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is OHCHPKHEDUWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-3-19(8-11-17-12(21-18-11)9-4-5-9)13(20)10-6-15-14(22-2)16-7-10/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 91781941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).