2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide

C23H25N3O4 — CID 29409481

IUPAC2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C23H25N3O4/c1-4-12-24-23(28)19-10-5-6-11-21(19)25-22(27)17-8-7-9-18(13-17)29-14-20-15(2)26-30-16(20)3/h5-11,13H,4,12,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySAXAMISSUMWTLS-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.26
Rot. Bonds8

About 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide

2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide (PubChem CID 29409481) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
PubChem CID29409481
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C23H25N3O4/c1-4-12-24-23(28)19-10-5-6-11-21(19)25-22(27)17-8-7-9-18(13-17)29-14-20-15(2)26-30-16(20)3/h5-11,13H,4,12,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySAXAMISSUMWTLS-UHFFFAOYSA-N
XLogP4.26
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 51208668
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methoxymethyl)phenyl]benzamide
CID 55714868
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46523131
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46455012
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9146267
N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29216339
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide (CID 29409481) is 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1.
What is the InChIKey of 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide?
The InChIKey is SAXAMISSUMWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-12-24-23(28)19-10-5-6-11-21(19)25-22(27)17-8-7-9-18(13-17)29-14-20-15(2)26-30-16(20)3/h5-11,13H,4,12,14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide?
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide has a molecular weight of 407.47 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 29409481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).