4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide

C22H19N3O4 — CID 43068531

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-20(13-7-15-25-18-11-4-5-12-19(18)29-22(25)27)24-17-10-6-14-23-21(17)28-16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15H2,(H,24,26)
InChIKeyLRRRKWZEORACIC-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.20
Rot. Bonds7

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide (PubChem CID 43068531) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide
PubChem CID43068531
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-20(13-7-15-25-18-11-4-5-12-19(18)29-22(25)27)24-17-10-6-14-23-21(17)28-16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15H2,(H,24,26)
InChIKeyLRRRKWZEORACIC-UHFFFAOYSA-N
XLogP4.20
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55727578
N-(3-hydroxy-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30161577
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
CID 55661422
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
N-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 18089950
N-(3-amino-3-oxopropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 56516274
N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55982987
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)butanamide
CID 55387623
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide (CID 43068531) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1cccnc1Oc1ccccc1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide?
The InChIKey is LRRRKWZEORACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-20(13-7-15-25-18-11-4-5-12-19(18)29-22(25)27)24-17-10-6-14-23-21(17)28-16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15H2,(H,24,26).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide has a molecular weight of 389.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide is sourced from PubChem (CID 43068531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).