2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide

C25H29N5O3 — CID 2932546

IUPAC2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1
InChIInChI=1S/C25H29N5O3/c31-23(16-29-11-1-2-12-29)26-19-7-5-18(6-8-19)25-28-21-15-20(9-10-22(21)33-25)27-24(32)17-30-13-3-4-14-30/h5-10,15H,1-4,11-14,16-17H2,(H,26,31)(H,27,32)
InChIKeyWDTMPUKELSWFII-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.56
Rot. Bonds7

About 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide

2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide (PubChem CID 2932546) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
PubChem CID2932546
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1
InChIInChI=1S/C25H29N5O3/c31-23(16-29-11-1-2-12-29)26-19-7-5-18(6-8-19)25-28-21-15-20(9-10-22(21)33-25)27-24(32)17-30-13-3-4-14-30/h5-10,15H,1-4,11-14,16-17H2,(H,26,31)(H,27,32)
InChIKeyWDTMPUKELSWFII-UHFFFAOYSA-N
XLogP3.56
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide (CID 2932546) is 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide is O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The InChIKey is WDTMPUKELSWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c31-23(16-29-11-1-2-12-29)26-19-7-5-18(6-8-19)25-28-21-15-20(9-10-22(21)33-25)27-24(32)17-30-13-3-4-14-30/h5-10,15H,1-4,11-14,16-17H2,(H,26,31)(H,27,32).
What are the key properties of 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 2932546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).