N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide

C21H30N6O5S — CID 43039481

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C21H30N6O5S/c1-3-18(21(28)23-19-14-16(2)32-24-19)25-6-8-26(9-7-25)20-5-4-17(15-22-20)33(29,30)27-10-12-31-13-11-27/h4-5,14-15,18H,3,6-13H2,1-2H3,(H,23,24,28)
InChIKeyNYOPLOMTJJGTMN-UHFFFAOYSA-N
MW478.58 g/mol
LogP0.94
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide (PubChem CID 43039481) has the molecular formula C21H30N6O5S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide
PubChem CID43039481
Molecular FormulaC21H30N6O5S
Molecular Weight478.58 g/mol
Exact Mass478.20
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C21H30N6O5S/c1-3-18(21(28)23-19-14-16(2)32-24-19)25-6-8-26(9-7-25)20-5-4-17(15-22-20)33(29,30)27-10-12-31-13-11-27/h4-5,14-15,18H,3,6-13H2,1-2H3,(H,23,24,28)
InChIKeyNYOPLOMTJJGTMN-UHFFFAOYSA-N
XLogP0.94
TPSA121.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxamide
CID 24612405
N-(tert-butylcarbamoyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propanamide
CID 43039479
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
(4-ethyl-5-methylthiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 24584459
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butanamide
CID 47079050
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 24598601
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7593941
2-(3-methoxy-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598602

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide (CID 43039481) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide is CCC(C(=O)Nc1cc(C)on1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide?
The InChIKey is NYOPLOMTJJGTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O5S/c1-3-18(21(28)23-19-14-16(2)32-24-19)25-6-8-26(9-7-25)20-5-4-17(15-22-20)33(29,30)27-10-12-31-13-11-27/h4-5,14-15,18H,3,6-13H2,1-2H3,(H,23,24,28).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide has a molecular weight of 478.58 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 43039481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).