N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C19H16N4O2S — CID 110417882

IUPACN-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc2cccc(NC(=O)CCc3csc(-c4ccncc4)n3)c2o1
InChIInChI=1S/C19H16N4O2S/c1-12-21-15-3-2-4-16(18(15)25-12)23-17(24)6-5-14-11-26-19(22-14)13-7-9-20-10-8-13/h2-4,7-11H,5-6H2,1H3,(H,23,24)
InChIKeyDXNRISBBCIQJCX-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.23
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110417882) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110417882
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc2cccc(NC(=O)CCc3csc(-c4ccncc4)n3)c2o1
InChIInChI=1S/C19H16N4O2S/c1-12-21-15-3-2-4-16(18(15)25-12)23-17(24)6-5-14-11-26-19(22-14)13-7-9-20-10-8-13/h2-4,7-11H,5-6H2,1H3,(H,23,24)
InChIKeyDXNRISBBCIQJCX-UHFFFAOYSA-N
XLogP4.23
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110330071
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110406262
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
CID 110358500
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110608052
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110428238
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110417882) is N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is Cc1nc2cccc(NC(=O)CCc3csc(-c4ccncc4)n3)c2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is DXNRISBBCIQJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-21-15-3-2-4-16(18(15)25-12)23-17(24)6-5-14-11-26-19(22-14)13-7-9-20-10-8-13/h2-4,7-11H,5-6H2,1H3,(H,23,24).
What are the key properties of N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 364.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-7-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110417882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).