2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

C21H21N3O4 — CID 24503509

IUPAC2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H21N3O4/c22-19(25)13-27-16-7-5-15(6-8-16)21(26)24-11-9-14(10-12-24)20-23-17-3-1-2-4-18(17)28-20/h1-8,14H,9-13H2,(H2,22,25)
InChIKeyPICSDXOUELHOSP-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 24503509) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID24503509
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H21N3O4/c22-19(25)13-27-16-7-5-15(6-8-16)21(26)24-11-9-14(10-12-24)20-23-17-3-1-2-4-18(17)28-20/h1-8,14H,9-13H2,(H2,22,25)
InChIKeyPICSDXOUELHOSP-UHFFFAOYSA-N
XLogP2.71
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16595051
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 16612988
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 21008002
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone
CID 17011771
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 51144949
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 21007916
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 31187279
1-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 39952257
1,3-benzothiazol-6-yl-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 9450209
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 17460898
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49192438
4-[4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55733706

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (CID 24503509) is 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is NC(=O)COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is PICSDXOUELHOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c22-19(25)13-27-16-7-5-15(6-8-16)21(26)24-11-9-14(10-12-24)20-23-17-3-1-2-4-18(17)28-20/h1-8,14H,9-13H2,(H2,22,25).
What are the key properties of 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 24503509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).