2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide

C24H22N4O5 — CID 54453723

IUPAC2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOc1cc(Nc2ncc(-c3ccccc3C(=O)N[C@H]3CCOC3)o2)ccc1-c1cnco1
InChIInChI=1S/C24H22N4O5/c1-30-20-10-15(6-7-19(20)21-11-25-14-32-21)28-24-26-12-22(33-24)17-4-2-3-5-18(17)23(29)27-16-8-9-31-13-16/h2-7,10-12,14,16H,8-9,13H2,1H3,(H,26,28)(H,27,29)/t16-/m0/s1
InChIKeyWWSKZHKSCDUNSF-INIZCTEOSA-N
MW446.46 g/mol
LogP4.27
Rot. Bonds7

About 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide

2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 54453723) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID54453723
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOc1cc(Nc2ncc(-c3ccccc3C(=O)N[C@H]3CCOC3)o2)ccc1-c1cnco1
InChIInChI=1S/C24H22N4O5/c1-30-20-10-15(6-7-19(20)21-11-25-14-32-21)28-24-26-12-22(33-24)17-4-2-3-5-18(17)23(29)27-16-8-9-31-13-16/h2-7,10-12,14,16H,8-9,13H2,1H3,(H,26,28)(H,27,29)/t16-/m0/s1
InChIKeyWWSKZHKSCDUNSF-INIZCTEOSA-N
XLogP4.27
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide (CID 54453723) is 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide is COc1cc(Nc2ncc(-c3ccccc3C(=O)N[C@H]3CCOC3)o2)ccc1-c1cnco1.
What is the InChIKey of 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is WWSKZHKSCDUNSF-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-30-20-10-15(6-7-19(20)21-11-25-14-32-21)28-24-26-12-22(33-24)17-4-2-3-5-18(17)23(29)27-16-8-9-31-13-16/h2-7,10-12,14,16H,8-9,13H2,1H3,(H,26,28)(H,27,29)/t16-/m0/s1.
What are the key properties of 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide?
2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 446.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 54453723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).