N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C23H21N3O4S — CID 56544924

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(OCc4cscn4)c(OC)c3)on2)cc1
InChIInChI=1S/C23H21N3O4S/c1-3-15-4-6-16(7-5-15)19-11-22(30-26-19)25-23(27)17-8-9-20(21(10-17)28-2)29-12-18-13-31-14-24-18/h4-11,13-14H,3,12H2,1-2H3,(H,25,27)
InChIKeyFCQZBDATTIQLTC-UHFFFAOYSA-N
MW435.51 g/mol
LogP5.20
Rot. Bonds8

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 56544924) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID56544924
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(OCc4cscn4)c(OC)c3)on2)cc1
InChIInChI=1S/C23H21N3O4S/c1-3-15-4-6-16(7-5-15)19-11-22(30-26-19)25-23(27)17-8-9-20(21(10-17)28-2)29-12-18-13-31-14-24-18/h4-11,13-14H,3,12H2,1-2H3,(H,25,27)
InChIKeyFCQZBDATTIQLTC-UHFFFAOYSA-N
XLogP5.20
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide with MolForge

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Related Compounds

methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
CID 56570036
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
N-[6-(diethylamino)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55784199

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 56544924) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is CCc1ccc(-c2cc(NC(=O)c3ccc(OCc4cscn4)c(OC)c3)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is FCQZBDATTIQLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-3-15-4-6-16(7-5-15)19-11-22(30-26-19)25-23(27)17-8-9-20(21(10-17)28-2)29-12-18-13-31-14-24-18/h4-11,13-14H,3,12H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 435.51 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 56544924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).