N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

C22H25N5O5 — CID 11464809

IUPACN-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C(=O)C1CCOCC1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O
InChIInChI=1S/C22H25N5O5/c1-13(20(29)14-6-10-31-11-7-14)15-2-3-17-16(12-15)25-22(27(17)9-5-19(23)28)26-21(30)18-4-8-24-32-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H2,23,28)(H,25,26,30)
InChIKeyUXGWIBVEWYSKRX-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.25
Rot. Bonds8

About N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 11464809) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID11464809
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC(C(=O)C1CCOCC1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O
InChIInChI=1S/C22H25N5O5/c1-13(20(29)14-6-10-31-11-7-14)15-2-3-17-16(12-15)25-22(27(17)9-5-19(23)28)26-21(30)18-4-8-24-32-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H2,23,28)(H,25,26,30)
InChIKeyUXGWIBVEWYSKRX-UHFFFAOYSA-N
XLogP2.25
TPSA142.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (CID 11464809) is N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is CC(C(=O)C1CCOCC1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is UXGWIBVEWYSKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-13(20(29)14-6-10-31-11-7-14)15-2-3-17-16(12-15)25-22(27(17)9-5-19(23)28)26-21(30)18-4-8-24-32-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H2,23,28)(H,25,26,30).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11464809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).