(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

C15H18FN3O2 — CID 11551038

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CNC(=O)C[C@H](N)Cc2ccccc2F)no1
InChIInChI=1S/C15H18FN3O2/c1-10-6-13(19-21-10)9-18-15(20)8-12(17)7-11-4-2-3-5-14(11)16/h2-6,12H,7-9,17H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeySNITWVAVYUJBPT-GFCCVEGCSA-N
MW291.33 g/mol
LogP1.70
Rot. Bonds6

About (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (PubChem CID 11551038) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
PubChem CID11551038
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CNC(=O)C[C@H](N)Cc2ccccc2F)no1
InChIInChI=1S/C15H18FN3O2/c1-10-6-13(19-21-10)9-18-15(20)8-12(17)7-11-4-2-3-5-14(11)16/h2-6,12H,7-9,17H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeySNITWVAVYUJBPT-GFCCVEGCSA-N
XLogP1.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide with MolForge

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109020837
N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994410
(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 11537671
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 11543968
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 47730257
(2R)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40600148
2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
CID 112606725
3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (CID 11551038) is (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is Cc1cc(CNC(=O)C[C@H](N)Cc2ccccc2F)no1.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The InChIKey is SNITWVAVYUJBPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-6-13(19-21-10)9-18-15(20)8-12(17)7-11-4-2-3-5-14(11)16/h2-6,12H,7-9,17H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide has a molecular weight of 291.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is sourced from PubChem (CID 11551038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).