1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea

C16H19N5O2 — CID 138023021

IUPAC1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
SMILESCc1noc(C2(NC(=O)NC(c3cccnc3)C3CC3)CC2)n1
InChIInChI=1S/C16H19N5O2/c1-10-18-14(23-21-10)16(6-7-16)20-15(22)19-13(11-4-5-11)12-3-2-8-17-9-12/h2-3,8-9,11,13H,4-7H2,1H3,(H2,19,20,22)
InChIKeyZEVWZMXGXAIXCX-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.21
Rot. Bonds5

About 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea

1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea (PubChem CID 138023021) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
PubChem CID138023021
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
SMILESCc1noc(C2(NC(=O)NC(c3cccnc3)C3CC3)CC2)n1
InChIInChI=1S/C16H19N5O2/c1-10-18-14(23-21-10)16(6-7-16)20-15(22)19-13(11-4-5-11)12-3-2-8-17-9-12/h2-3,8-9,11,13H,4-7H2,1H3,(H2,19,20,22)
InChIKeyZEVWZMXGXAIXCX-UHFFFAOYSA-N
XLogP2.21
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea with MolForge

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Related Compounds

1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
1-[[cyclopropyl(pyridin-3-yl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122008111
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128977865
1-(2-ethylquinolin-4-yl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
CID 146109489
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792017
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 78875119
1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129330509

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea?
The IUPAC name of 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea (CID 138023021) is 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea.
What is the SMILES notation for 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea?
The canonical SMILES for 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea is Cc1noc(C2(NC(=O)NC(c3cccnc3)C3CC3)CC2)n1.
What is the InChIKey of 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea?
The InChIKey is ZEVWZMXGXAIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-18-14(23-21-10)16(6-7-16)20-15(22)19-13(11-4-5-11)12-3-2-8-17-9-12/h2-3,8-9,11,13H,4-7H2,1H3,(H2,19,20,22).
What are the key properties of 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea?
1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea has a molecular weight of 313.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea is sourced from PubChem (CID 138023021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).