N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide

C21H17ClN4O4 — CID 22459779

IUPACN-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Cl)c2)o1
InChIInChI=1S/C21H17ClN4O4/c1-26(20(28)11-27)17-5-3-2-4-15(17)19-10-24-21(30-19)25-13-6-7-14(16(22)8-13)18-9-23-12-29-18/h2-10,12,27H,11H2,1H3,(H,24,25)
InChIKeyUDJQZKOQRHRHER-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.35
Rot. Bonds6

About N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide

N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide (PubChem CID 22459779) has the molecular formula C21H17ClN4O4 and a molecular weight of 424.84 g/mol. Its IUPAC name is N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide
PubChem CID22459779
Molecular FormulaC21H17ClN4O4
Molecular Weight424.84 g/mol
Exact Mass424.09
IUPAC NameN-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Cl)c2)o1
InChIInChI=1S/C21H17ClN4O4/c1-26(20(28)11-27)17-5-3-2-4-15(17)19-10-24-21(30-19)25-13-6-7-14(16(22)8-13)18-9-23-12-29-18/h2-10,12,27H,11H2,1H3,(H,24,25)
InChIKeyUDJQZKOQRHRHER-UHFFFAOYSA-N
XLogP4.35
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide (CID 22459779) is N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide is CN(C(=O)CO)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Cl)c2)o1.
What is the InChIKey of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide?
The InChIKey is UDJQZKOQRHRHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4/c1-26(20(28)11-27)17-5-3-2-4-15(17)19-10-24-21(30-19)25-13-6-7-14(16(22)8-13)18-9-23-12-29-18/h2-10,12,27H,11H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide?
N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide has a molecular weight of 424.84 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 22459779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).