5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C19H15N3O2S2 — CID 55756186

IUPAC5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2cccnc2)on1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H15N3O2S2/c23-19(17-10-18(24-21-17)14-4-1-7-20-11-14)22(12-15-5-2-8-25-15)13-16-6-3-9-26-16/h1-11H,12-13H2
InChIKeyILWDKBHJBLSZRB-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.70
Rot. Bonds6

About 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 55756186) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID55756186
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2cccnc2)on1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H15N3O2S2/c23-19(17-10-18(24-21-17)14-4-1-7-20-11-14)22(12-15-5-2-8-25-15)13-16-6-3-9-26-16/h1-11H,12-13H2
InChIKeyILWDKBHJBLSZRB-UHFFFAOYSA-N
XLogP4.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119660427
(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 139001482
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 111445679

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 55756186) is 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2cccnc2)on1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ILWDKBHJBLSZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-19(17-10-18(24-21-17)14-4-1-7-20-11-14)22(12-15-5-2-8-25-15)13-16-6-3-9-26-16/h1-11H,12-13H2.
What are the key properties of 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55756186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).