1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea

C16H17N5O2 — CID 95619095

IUPAC1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
SMILESCc1noc([C@H](C)NC(=O)NCc2cccc3cccnc23)n1
InChIInChI=1S/C16H17N5O2/c1-10(15-20-11(2)21-23-15)19-16(22)18-9-13-6-3-5-12-7-4-8-17-14(12)13/h3-8,10H,9H2,1-2H3,(H2,18,19,22)/t10-/m0/s1
InChIKeyVZOLACMQTGONEU-JTQLQIEISA-N
MW311.35 g/mol
LogP2.49
Rot. Bonds4

About 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea

1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea (PubChem CID 95619095) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
PubChem CID95619095
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
SMILESCc1noc([C@H](C)NC(=O)NCc2cccc3cccnc23)n1
InChIInChI=1S/C16H17N5O2/c1-10(15-20-11(2)21-23-15)19-16(22)18-9-13-6-3-5-12-7-4-8-17-14(12)13/h3-8,10H,9H2,1-2H3,(H2,18,19,22)/t10-/m0/s1
InChIKeyVZOLACMQTGONEU-JTQLQIEISA-N
XLogP2.49
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea with MolForge

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Related Compounds

1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 71869938
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95351009
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 126774567
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95290615
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 97212812
N-[1-(5-methylfuran-2-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320956

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea (CID 95619095) is 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea is Cc1noc([C@H](C)NC(=O)NCc2cccc3cccnc23)n1.
What is the InChIKey of 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The InChIKey is VZOLACMQTGONEU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(15-20-11(2)21-23-15)19-16(22)18-9-13-6-3-5-12-7-4-8-17-14(12)13/h3-8,10H,9H2,1-2H3,(H2,18,19,22)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea has a molecular weight of 311.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 95619095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).