(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

C17H19FN2O3 — CID 42280140

IUPAC(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1onc2c1CCCC2
InChIInChI=1S/C17H19FN2O3/c1-2-14(22-15-10-6-4-8-12(15)18)16(21)19-17-11-7-3-5-9-13(11)20-23-17/h4,6,8,10,14H,2-3,5,7,9H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyALWKTPIHHSUTBX-CQSZACIVSA-N
MW318.35 g/mol
LogP3.49
Rot. Bonds5

About (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide

(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide (PubChem CID 42280140) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide
PubChem CID42280140
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1onc2c1CCCC2
InChIInChI=1S/C17H19FN2O3/c1-2-14(22-15-10-6-4-8-12(15)18)16(21)19-17-11-7-3-5-9-13(11)20-23-17/h4,6,8,10,14H,2-3,5,7,9H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyALWKTPIHHSUTBX-CQSZACIVSA-N
XLogP3.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide
CID 41010172
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
(2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide
CID 97319412
(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7708611
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 71863908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide (CID 42280140) is (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide is CC[C@@H](Oc1ccccc1F)C(=O)Nc1onc2c1CCCC2.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide?
The InChIKey is ALWKTPIHHSUTBX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-2-14(22-15-10-6-4-8-12(15)18)16(21)19-17-11-7-3-5-9-13(11)20-23-17/h4,6,8,10,14H,2-3,5,7,9H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide?
(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide has a molecular weight of 318.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 42280140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).