N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

C14H16FN3O2 — CID 109020837

IUPACN-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)NCc2ccccc2F)no1
InChIInChI=1S/C14H16FN3O2/c1-10-8-13(18-20-10)16-7-6-14(19)17-9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyONBJJLBUHZLAQU-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.24
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (PubChem CID 109020837) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
PubChem CID109020837
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)NCc2ccccc2F)no1
InChIInChI=1S/C14H16FN3O2/c1-10-8-13(18-20-10)16-7-6-14(19)17-9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyONBJJLBUHZLAQU-UHFFFAOYSA-N
XLogP2.24
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
(2R)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40600148
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113181770
N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994410
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 11551038
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9034400
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (CID 109020837) is N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is Cc1cc(NCCC(=O)NCc2ccccc2F)no1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The InChIKey is ONBJJLBUHZLAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10-8-13(18-20-10)16-7-6-14(19)17-9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide has a molecular weight of 277.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is sourced from PubChem (CID 109020837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).