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

C19H21N5O2 — CID 92588209

IUPAC5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N(C)Cc1nc(C)ncc1-c1ccncc1
InChIInChI=1S/C19H21N5O2/c1-5-17-18(12(2)23-26-17)19(25)24(4)11-16-15(10-21-13(3)22-16)14-6-8-20-9-7-14/h6-10H,5,11H2,1-4H3
InChIKeyMDHWPMWKVPBDJA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.98
Rot. Bonds5

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

5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 92588209) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID92588209
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N(C)Cc1nc(C)ncc1-c1ccncc1
InChIInChI=1S/C19H21N5O2/c1-5-17-18(12(2)23-26-17)19(25)24(4)11-16-15(10-21-13(3)22-16)14-6-8-20-9-7-14/h6-10H,5,11H2,1-4H3
InChIKeyMDHWPMWKVPBDJA-UHFFFAOYSA-N
XLogP2.98
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide (CID 92588209) is 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)N(C)Cc1nc(C)ncc1-c1ccncc1.
What is the InChIKey of 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is MDHWPMWKVPBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-5-17-18(12(2)23-26-17)19(25)24(4)11-16-15(10-21-13(3)22-16)14-6-8-20-9-7-14/h6-10H,5,11H2,1-4H3.
What are the key properties of 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,3-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 92588209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).