3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide

C20H21N3O3 — CID 109042013

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H21N3O3/c1-15-13-19(23-26-15)21-12-11-20(24)22-17-7-9-18(10-8-17)25-14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyAPIUELMCAJBOJN-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.00
Rot. Bonds8

About 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide

3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 109042013) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID109042013
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H21N3O3/c1-15-13-19(23-26-15)21-12-11-20(24)22-17-7-9-18(10-8-17)25-14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyAPIUELMCAJBOJN-UHFFFAOYSA-N
XLogP4.00
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
CID 109041512
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide (CID 109042013) is 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide is Cc1cc(NCCC(=O)Nc2ccc(OCc3ccccc3)cc2)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is APIUELMCAJBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-13-19(23-26-15)21-12-11-20(24)22-17-7-9-18(10-8-17)25-14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide?
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 109042013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).