(2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide

C20H23N3O4 — CID 54473034

IUPAC(2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
SMILESCOC1=NOC(CNC(=O)[C@H](C)N(C(C)=O)c2cccc3ccccc23)C1
InChIInChI=1S/C20H23N3O4/c1-13(20(25)21-12-16-11-19(26-3)22-27-16)23(14(2)24)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16H,11-12H2,1-3H3,(H,21,25)/t13-,16?/m0/s1
InChIKeyXJQDASWROXIGKN-KNVGNIICSA-N
MW369.42 g/mol
LogP2.45
Rot. Bonds5

About (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide

(2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 54473034) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
PubChem CID54473034
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
SMILESCOC1=NOC(CNC(=O)[C@H](C)N(C(C)=O)c2cccc3ccccc23)C1
InChIInChI=1S/C20H23N3O4/c1-13(20(25)21-12-16-11-19(26-3)22-27-16)23(14(2)24)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16H,11-12H2,1-3H3,(H,21,25)/t13-,16?/m0/s1
InChIKeyXJQDASWROXIGKN-KNVGNIICSA-N
XLogP2.45
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide (CID 54473034) is (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide is COC1=NOC(CNC(=O)[C@H](C)N(C(C)=O)c2cccc3ccccc23)C1.
What is the InChIKey of (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
The InChIKey is XJQDASWROXIGKN-KNVGNIICSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(20(25)21-12-16-11-19(26-3)22-27-16)23(14(2)24)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16H,11-12H2,1-3H3,(H,21,25)/t13-,16?/m0/s1.
What are the key properties of (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
(2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 369.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl(naphthalen-1-yl)amino]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 54473034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).