N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide

C25H24N4O3S — CID 42467503

IUPACN-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
SMILESCc1oc(-c2cccc(NC(=O)CCc3cccnc3)c2)nc1CNC(=O)Cc1cccs1
InChIInChI=1S/C25H24N4O3S/c1-17-22(16-27-24(31)14-21-8-4-12-33-21)29-25(32-17)19-6-2-7-20(13-19)28-23(30)10-9-18-5-3-11-26-15-18/h2-8,11-13,15H,9-10,14,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyYDWGMEKHQHPSLS-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.54
Rot. Bonds9

About N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide

N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 42467503) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
PubChem CID42467503
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
SMILESCc1oc(-c2cccc(NC(=O)CCc3cccnc3)c2)nc1CNC(=O)Cc1cccs1
InChIInChI=1S/C25H24N4O3S/c1-17-22(16-27-24(31)14-21-8-4-12-33-21)29-25(32-17)19-6-2-7-20(13-19)28-23(30)10-9-18-5-3-11-26-15-18/h2-8,11-13,15H,9-10,14,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyYDWGMEKHQHPSLS-UHFFFAOYSA-N
XLogP4.54
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42165935
N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 45176298
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
CID 42245990
N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-3-ylmethyl)acetamide
CID 20860412
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42167713
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
5-methyl-N-[3-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 26280392
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide (CID 42467503) is N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide is Cc1oc(-c2cccc(NC(=O)CCc3cccnc3)c2)nc1CNC(=O)Cc1cccs1.
What is the InChIKey of N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is YDWGMEKHQHPSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-22(16-27-24(31)14-21-8-4-12-33-21)29-25(32-17)19-6-2-7-20(13-19)28-23(30)10-9-18-5-3-11-26-15-18/h2-8,11-13,15H,9-10,14,16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide?
N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 460.56 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 42467503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).