4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C22H21N3O5 — CID 26689787

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H21N3O5/c1-12-17(13(2)30-25-12)11-28-20-7-5-15(9-21(20)27-4)22(26)24-16-6-8-19-18(10-16)23-14(3)29-19/h5-10H,11H2,1-4H3,(H,24,26)
InChIKeyGTXUTIBFGUAGEJ-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.58
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 26689787) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID26689787
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H21N3O5/c1-12-17(13(2)30-25-12)11-28-20-7-5-15(9-21(20)27-4)22(26)24-16-6-8-19-18(10-16)23-14(3)29-19/h5-10H,11H2,1-4H3,(H,24,26)
InChIKeyGTXUTIBFGUAGEJ-UHFFFAOYSA-N
XLogP4.58
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-1,3-benzoxazol-5-yl)naphthalene-2-carboxamide
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N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26383518
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3-propan-2-yloxypropyl)benzamide
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N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 26689787) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is GTXUTIBFGUAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-12-17(13(2)30-25-12)11-28-20-7-5-15(9-21(20)27-4)22(26)24-16-6-8-19-18(10-16)23-14(3)29-19/h5-10H,11H2,1-4H3,(H,24,26).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 407.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 26689787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).