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

C22H25N5O3 — CID 122446187

IUPAC(5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccc(N4C(=O)NC[C@H]4C)nc3)o2)c1
InChIInChI=1S/C22H25N5O3/c1-4-29-13-16-6-5-14(2)18(9-16)26-21-24-12-19(30-21)17-7-8-20(23-11-17)27-15(3)10-25-22(27)28/h5-9,11-12,15H,4,10,13H2,1-3H3,(H,24,26)(H,25,28)/t15-/m1/s1
InChIKeyKIECZPNABSVWNH-OAHLLOKOSA-N
MW407.47 g/mol
LogP4.24
Rot. Bonds7

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

(5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one (PubChem CID 122446187) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one
PubChem CID122446187
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccc(N4C(=O)NC[C@H]4C)nc3)o2)c1
InChIInChI=1S/C22H25N5O3/c1-4-29-13-16-6-5-14(2)18(9-16)26-21-24-12-19(30-21)17-7-8-20(23-11-17)27-15(3)10-25-22(27)28/h5-9,11-12,15H,4,10,13H2,1-3H3,(H,24,26)(H,25,28)/t15-/m1/s1
InChIKeyKIECZPNABSVWNH-OAHLLOKOSA-N
XLogP4.24
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one?
The IUPAC name of (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one (CID 122446187) is (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one?
The canonical SMILES for (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one is CCOCc1ccc(C)c(Nc2ncc(-c3ccc(N4C(=O)NC[C@H]4C)nc3)o2)c1.
What is the InChIKey of (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one?
The InChIKey is KIECZPNABSVWNH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-4-29-13-16-6-5-14(2)18(9-16)26-21-24-12-19(30-21)17-7-8-20(23-11-17)27-15(3)10-25-22(27)28/h5-9,11-12,15H,4,10,13H2,1-3H3,(H,24,26)(H,25,28)/t15-/m1/s1.
What are the key properties of (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one?
(5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 122446187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).