1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one

C21H23N5O3 — CID 71239703

IUPAC1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one
SMILESCOCc1ccc(C)c(Nc2ncc(-c3ccnc(N4CC(C)NC4=O)c3)o2)c1
InChIInChI=1S/C21H23N5O3/c1-13-4-5-15(12-28-3)8-17(13)25-20-23-10-18(29-20)16-6-7-22-19(9-16)26-11-14(2)24-21(26)27/h4-10,14H,11-12H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyPMTZYDCCPGIEDE-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.85
Rot. Bonds6

About 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one

1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one (PubChem CID 71239703) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one
PubChem CID71239703
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one
SMILESCOCc1ccc(C)c(Nc2ncc(-c3ccnc(N4CC(C)NC4=O)c3)o2)c1
InChIInChI=1S/C21H23N5O3/c1-13-4-5-15(12-28-3)8-17(13)25-20-23-10-18(29-20)16-6-7-22-19(9-16)26-11-14(2)24-21(26)27/h4-10,14H,11-12H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyPMTZYDCCPGIEDE-UHFFFAOYSA-N
XLogP3.85
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one?
The IUPAC name of 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one (CID 71239703) is 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one is COCc1ccc(C)c(Nc2ncc(-c3ccnc(N4CC(C)NC4=O)c3)o2)c1.
What is the InChIKey of 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one?
The InChIKey is PMTZYDCCPGIEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-4-5-15(12-28-3)8-17(13)25-20-23-10-18(29-20)16-6-7-22-19(9-16)26-11-14(2)24-21(26)27/h4-10,14H,11-12H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one?
1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one has a molecular weight of 393.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 71239703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).