1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea

C17H25N5O2 — CID 126427429

IUPAC1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)N(C)CCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C17H25N5O2/c1-11(2)16-20-15(21-24-16)8-9-22(5)17(23)19-13(4)14-7-6-12(3)18-10-14/h6-7,10-11,13H,8-9H2,1-5H3,(H,19,23)/t13-/m0/s1
InChIKeyLSTPQEBQUVLEQO-ZDUSSCGKSA-N
MW331.42 g/mol
LogP2.84
Rot. Bonds6

About 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea

1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 126427429) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID126427429
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)N(C)CCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C17H25N5O2/c1-11(2)16-20-15(21-24-16)8-9-22(5)17(23)19-13(4)14-7-6-12(3)18-10-14/h6-7,10-11,13H,8-9H2,1-5H3,(H,19,23)/t13-/m0/s1
InChIKeyLSTPQEBQUVLEQO-ZDUSSCGKSA-N
XLogP2.84
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 126427429) is 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea is Cc1ccc([C@H](C)NC(=O)N(C)CCc2noc(C(C)C)n2)cn1.
What is the InChIKey of 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is LSTPQEBQUVLEQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)16-20-15(21-24-16)8-9-22(5)17(23)19-13(4)14-7-6-12(3)18-10-14/h6-7,10-11,13H,8-9H2,1-5H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 331.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 126427429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).