N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide

C22H25N5O3 — CID 59671532

IUPACN-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(N2CCNCC2COc2cccnc2)oc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H25N5O3/c1-16-20(21(28)25-12-17-6-3-2-4-7-17)30-22(26-16)27-11-10-24-13-18(27)15-29-19-8-5-9-23-14-19/h2-9,14,18,24H,10-13,15H2,1H3,(H,25,28)
InChIKeyNRIYYPCDYNGBRV-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.17
Rot. Bonds7

About N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide

N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide (PubChem CID 59671532) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide
PubChem CID59671532
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(N2CCNCC2COc2cccnc2)oc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H25N5O3/c1-16-20(21(28)25-12-17-6-3-2-4-7-17)30-22(26-16)27-11-10-24-13-18(27)15-29-19-8-5-9-23-14-19/h2-9,14,18,24H,10-13,15H2,1H3,(H,25,28)
InChIKeyNRIYYPCDYNGBRV-UHFFFAOYSA-N
XLogP2.17
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797360
6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66796479
6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
CID 66797481
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340
5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 59671539
6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797247
N-[(3-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797153
methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 59671484
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796692
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide (CID 59671532) is N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide is Cc1nc(N2CCNCC2COc2cccnc2)oc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is NRIYYPCDYNGBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-16-20(21(28)25-12-17-6-3-2-4-7-17)30-22(26-16)27-11-10-24-13-18(27)15-29-19-8-5-9-23-14-19/h2-9,14,18,24H,10-13,15H2,1H3,(H,25,28).
What are the key properties of N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide?
N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 59671532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).