3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide

C15H18N4O2 — CID 131935565

IUPAC3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cc(C2CC2)no1
InChIInChI=1S/C15H18N4O2/c1-10-9-16-5-4-12(10)17-6-7-18-15(20)14-8-13(19-21-14)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,17)(H,18,20)
InChIKeyBMLPLHHBVBLNRV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.10
Rot. Bonds6

About 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 131935565) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
PubChem CID131935565
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cc(C2CC2)no1
InChIInChI=1S/C15H18N4O2/c1-10-9-16-5-4-12(10)17-6-7-18-15(20)14-8-13(19-21-14)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,17)(H,18,20)
InChIKeyBMLPLHHBVBLNRV-UHFFFAOYSA-N
XLogP2.10
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56907316
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584
N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611232
trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide
CID 91772201
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72894497
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
3-(1,3-benzodioxol-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 131952515
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 122558372
3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 128985054

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide (CID 131935565) is 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide is Cc1cnccc1NCCNC(=O)c1cc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BMLPLHHBVBLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-9-16-5-4-12(10)17-6-7-18-15(20)14-8-13(19-21-14)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131935565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).