3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide

C28H31N5O3 — CID 26360852

IUPAC3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide
SMILESCc1oc(-c2ccccc2NC(=O)CC2CCCC2)nc1CNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H31N5O3/c1-18-24(17-29-26(34)15-14-25-30-22-12-6-7-13-23(22)31-25)33-28(36-18)20-10-4-5-11-21(20)32-27(35)16-19-8-2-3-9-19/h4-7,10-13,19H,2-3,8-9,14-17H2,1H3,(H,29,34)(H,30,31)(H,32,35)
InChIKeyJGLUDIZOHJGHTN-UHFFFAOYSA-N
MW485.59 g/mol
LogP5.29
Rot. Bonds9

About 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide (PubChem CID 26360852) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide
PubChem CID26360852
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide
SMILESCc1oc(-c2ccccc2NC(=O)CC2CCCC2)nc1CNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H31N5O3/c1-18-24(17-29-26(34)15-14-25-30-22-12-6-7-13-23(22)31-25)33-28(36-18)20-10-4-5-11-21(20)32-27(35)16-19-8-2-3-9-19/h4-7,10-13,19H,2-3,8-9,14-17H2,1H3,(H,29,34)(H,30,31)(H,32,35)
InChIKeyJGLUDIZOHJGHTN-UHFFFAOYSA-N
XLogP5.29
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide (CID 26360852) is 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide is Cc1oc(-c2ccccc2NC(=O)CC2CCCC2)nc1CNC(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide?
The InChIKey is JGLUDIZOHJGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18-24(17-29-26(34)15-14-25-30-22-12-6-7-13-23(22)31-25)33-28(36-18)20-10-4-5-11-21(20)32-27(35)16-19-8-2-3-9-19/h4-7,10-13,19H,2-3,8-9,14-17H2,1H3,(H,29,34)(H,30,31)(H,32,35).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide has a molecular weight of 485.59 g/mol, XLogP of 5.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[[2-[2-[(2-cyclopentylacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]propanamide is sourced from PubChem (CID 26360852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).