N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C24H23N5O2 — CID 154773809

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H23N5O2/c30-24(29-15-13-28(14-16-29)17-18-9-11-25-12-10-18)26-20-7-5-19(6-8-20)23-27-21-3-1-2-4-22(21)31-23/h1-12H,13-17H2,(H,26,30)
InChIKeyMSTACXUEHMKWAX-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.24
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 154773809) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID154773809
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H23N5O2/c30-24(29-15-13-28(14-16-29)17-18-9-11-25-12-10-18)26-20-7-5-19(6-8-20)23-27-21-3-1-2-4-22(21)31-23/h1-12H,13-17H2,(H,26,30)
InChIKeyMSTACXUEHMKWAX-UHFFFAOYSA-N
XLogP4.24
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 60577718
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909635
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
N-(3,5-ditert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 171093259
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-(pyridin-4-ylmethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 126774966

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 154773809) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is MSTACXUEHMKWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-24(29-15-13-28(14-16-29)17-18-9-11-25-12-10-18)26-20-7-5-19(6-8-20)23-27-21-3-1-2-4-22(21)31-23/h1-12H,13-17H2,(H,26,30).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 154773809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).