2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide

C18H17N3O3 — CID 67046681

IUPAC2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide
SMILESCOc1cc(N(CC(N)=O)c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C18H17N3O3/c1-23-16-9-14(7-8-15(16)17-10-20-12-24-17)21(11-18(19)22)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,19,22)
InChIKeyBJRVUYBZVSFMEO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.97
Rot. Bonds6

About 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide

2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide (PubChem CID 67046681) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide.

Molecular Properties

Compound Name2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide
PubChem CID67046681
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide
SMILESCOc1cc(N(CC(N)=O)c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C18H17N3O3/c1-23-16-9-14(7-8-15(16)17-10-20-12-24-17)21(11-18(19)22)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,19,22)
InChIKeyBJRVUYBZVSFMEO-UHFFFAOYSA-N
XLogP2.97
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide?
The IUPAC name of 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide (CID 67046681) is 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide.
What is the SMILES notation for 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide?
The canonical SMILES for 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide is COc1cc(N(CC(N)=O)c2ccccc2)ccc1-c1cnco1.
What is the InChIKey of 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide?
The InChIKey is BJRVUYBZVSFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-16-9-14(7-8-15(16)17-10-20-12-24-17)21(11-18(19)22)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,19,22).
What are the key properties of 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide?
2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide is sourced from PubChem (CID 67046681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).