5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide

C21H19N5O3 — CID 92589079

IUPAC5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)no1
InChIInChI=1S/C21H19N5O3/c1-3-16-9-18(26-28-16)21(27)23-10-14-4-6-15(7-5-14)20-17(11-22-12-24-20)19-8-13(2)25-29-19/h4-9,11-12H,3,10H2,1-2H3,(H,23,27)
InChIKeyDZUNADSLRCFKTE-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.59
Rot. Bonds6

About 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide

5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 92589079) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID92589079
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)no1
InChIInChI=1S/C21H19N5O3/c1-3-16-9-18(26-28-16)21(27)23-10-14-4-6-15(7-5-14)20-17(11-22-12-24-20)19-8-13(2)25-29-19/h4-9,11-12H,3,10H2,1-2H3,(H,23,27)
InChIKeyDZUNADSLRCFKTE-UHFFFAOYSA-N
XLogP3.59
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 92589079) is 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)no1.
What is the InChIKey of 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DZUNADSLRCFKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-3-16-9-18(26-28-16)21(27)23-10-14-4-6-15(7-5-14)20-17(11-22-12-24-20)19-8-13(2)25-29-19/h4-9,11-12H,3,10H2,1-2H3,(H,23,27).
What are the key properties of 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92589079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).