2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide

C13H15FN4O2 — CID 129052705

IUPAC2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(CCN)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C13H15FN4O2/c1-8-12(18-11(20-8)4-5-15)13(19)17-7-10-9(14)3-2-6-16-10/h2-3,6H,4-5,7,15H2,1H3,(H,17,19)
InChIKeySFVQMJYOKLKQSA-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.95
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide

2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 129052705) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID129052705
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(CCN)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C13H15FN4O2/c1-8-12(18-11(20-8)4-5-15)13(19)17-7-10-9(14)3-2-6-16-10/h2-3,6H,4-5,7,15H2,1H3,(H,17,19)
InChIKeySFVQMJYOKLKQSA-UHFFFAOYSA-N
XLogP0.95
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148
2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052370
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 83384278
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
CID 145298054
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 129052683
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 113229810
2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175341
tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate
CID 129052316
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 129052705) is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1oc(CCN)nc1C(=O)NCc1ncccc1F.
What is the InChIKey of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is SFVQMJYOKLKQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8-12(18-11(20-8)4-5-15)13(19)17-7-10-9(14)3-2-6-16-10/h2-3,6H,4-5,7,15H2,1H3,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 278.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 129052705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).