(2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide

C14H16FN3O3 — CID 67670217

IUPAC(2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide
SMILESC[C@H](NCc1cc(OCc2ccccc2F)no1)C(N)=O
InChIInChI=1S/C14H16FN3O3/c1-9(14(16)19)17-7-11-6-13(18-21-11)20-8-10-4-2-3-5-12(10)15/h2-6,9,17H,7-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyURPNPEVTURGZGS-VIFPVBQESA-N
MW293.30 g/mol
LogP1.36
Rot. Bonds7

About (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide

(2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide (PubChem CID 67670217) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide
PubChem CID67670217
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name(2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide
SMILESC[C@H](NCc1cc(OCc2ccccc2F)no1)C(N)=O
InChIInChI=1S/C14H16FN3O3/c1-9(14(16)19)17-7-11-6-13(18-21-11)20-8-10-4-2-3-5-12(10)15/h2-6,9,17H,7-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyURPNPEVTURGZGS-VIFPVBQESA-N
XLogP1.36
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
bis((2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide);methanesulfonic acid;hydrate
CID 54596588
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid
CID 66529359
2-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66530993
(2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 151124871
2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 175078643
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
2-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid
CID 66527723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide (CID 67670217) is (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide is C[C@H](NCc1cc(OCc2ccccc2F)no1)C(N)=O.
What is the InChIKey of (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide?
The InChIKey is URPNPEVTURGZGS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-9(14(16)19)17-7-11-6-13(18-21-11)20-8-10-4-2-3-5-12(10)15/h2-6,9,17H,7-8H2,1H3,(H2,16,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide?
(2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide has a molecular weight of 293.30 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide is sourced from PubChem (CID 67670217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).