3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide

C19H20N2O2 — CID 100510503

IUPAC3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14(15-7-3-2-4-8-15)13-20-18(22)11-12-19-21-16-9-5-6-10-17(16)23-19/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyZSTOCFUSLALIDP-CQSZACIVSA-N
MW308.38 g/mol
LogP3.68
Rot. Bonds6

About 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide

3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 100510503) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID100510503
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14(15-7-3-2-4-8-15)13-20-18(22)11-12-19-21-16-9-5-6-10-17(16)23-19/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyZSTOCFUSLALIDP-CQSZACIVSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201127
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428837
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]hexanoic acid
CID 120614345
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
CID 119213480
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-phenylbutanoic acid
CID 119201844
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide (CID 100510503) is 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide is C[C@H](CNC(=O)CCc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is ZSTOCFUSLALIDP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(15-7-3-2-4-8-15)13-20-18(22)11-12-19-21-16-9-5-6-10-17(16)23-19/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide?
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 100510503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).