N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C19H24N6O2 — CID 49088156

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3cnn(CCN(C)C)c3)o2)cc1
InChIInChI=1S/C19H24N6O2/c1-14-4-6-15(7-5-14)19-23-22-18(27-19)9-8-17(26)21-16-12-20-25(13-16)11-10-24(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)
InChIKeyDQEVHTJWRBTOPY-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.37
Rot. Bonds8

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 49088156) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID49088156
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3cnn(CCN(C)C)c3)o2)cc1
InChIInChI=1S/C19H24N6O2/c1-14-4-6-15(7-5-14)19-23-22-18(27-19)9-8-17(26)21-16-12-20-25(13-16)11-10-24(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)
InChIKeyDQEVHTJWRBTOPY-UHFFFAOYSA-N
XLogP2.37
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18104453
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
4-[(S)-(4-bromophenyl)sulfinyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanamide
CID 96516886
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55753849
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
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N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 49088156) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3cnn(CCN(C)C)c3)o2)cc1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is DQEVHTJWRBTOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-4-6-15(7-5-14)19-23-22-18(27-19)9-8-17(26)21-16-12-20-25(13-16)11-10-24(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,21,26).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 49088156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).