5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C20H21N3O5 — CID 55780169

IUPAC5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(-c3cccnc3)on2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-12(14-8-17(25-2)19(27-4)18(9-14)26-3)22-20(24)15-10-16(28-23-15)13-6-5-7-21-11-13/h5-12H,1-4H3,(H,22,24)
InChIKeyAKKKWVRBQRMPRB-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.25
Rot. Bonds7

About 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 55780169) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID55780169
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(-c3cccnc3)on2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-12(14-8-17(25-2)19(27-4)18(9-14)26-3)22-20(24)15-10-16(28-23-15)13-6-5-7-21-11-13/h5-12H,1-4H3,(H,22,24)
InChIKeyAKKKWVRBQRMPRB-UHFFFAOYSA-N
XLogP3.25
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 51956096
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 167797492
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122302827
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119526848
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92582474

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 55780169) is 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1cc(C(C)NC(=O)c2cc(-c3cccnc3)on2)cc(OC)c1OC.
What is the InChIKey of 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AKKKWVRBQRMPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12(14-8-17(25-2)19(27-4)18(9-14)26-3)22-20(24)15-10-16(28-23-15)13-6-5-7-21-11-13/h5-12H,1-4H3,(H,22,24).
What are the key properties of 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55780169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).