N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C19H19N3O3 — CID 94237762

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H19N3O3/c1-13(15-8-4-5-9-17(15)24-3)22(2)19(23)16-11-18(25-21-16)14-7-6-10-20-12-14/h4-13H,1-3H3/t13-/m1/s1
InChIKeySNWIERJPMZPOLU-CYBMUJFWSA-N
MW337.38 g/mol
LogP3.58
Rot. Bonds5

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 94237762) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID94237762
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H19N3O3/c1-13(15-8-4-5-9-17(15)24-3)22(2)19(23)16-11-18(25-21-16)14-7-6-10-20-12-14/h4-13H,1-3H3/t13-/m1/s1
InChIKeySNWIERJPMZPOLU-CYBMUJFWSA-N
XLogP3.58
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 94237762) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SNWIERJPMZPOLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(15-8-4-5-9-17(15)24-3)22(2)19(23)16-11-18(25-21-16)14-7-6-10-20-12-14/h4-13H,1-3H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94237762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).