5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

C18H18N4O3 — CID 162800357

IUPAC5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2cccnc2)c1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C18H18N4O3/c1-12(23)17-15(16(21-25-17)14-6-4-8-20-10-14)18(24)22(2)11-13-5-3-7-19-9-13/h3-10,12,23H,11H2,1-2H3
InChIKeyWHZFKIFAQKVZLA-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.46
Rot. Bonds5

About 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 162800357) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID162800357
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2cccnc2)c1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C18H18N4O3/c1-12(23)17-15(16(21-25-17)14-6-4-8-20-10-14)18(24)22(2)11-13-5-3-7-19-9-13/h3-10,12,23H,11H2,1-2H3
InChIKeyWHZFKIFAQKVZLA-UHFFFAOYSA-N
XLogP2.46
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
CID 100632561
[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878355
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 100632211
(4-benzylpiperazin-1-yl)-[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]methanone
CID 162800298
N-cyclopropyl-5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 162800243
[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162800210
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 163093181
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (CID 162800357) is 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is CC(O)c1onc(-c2cccnc2)c1C(=O)N(C)Cc1cccnc1.
What is the InChIKey of 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WHZFKIFAQKVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12(23)17-15(16(21-25-17)14-6-4-8-20-10-14)18(24)22(2)11-13-5-3-7-19-9-13/h3-10,12,23H,11H2,1-2H3.
What are the key properties of 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162800357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).