4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C23H26N4O5 — CID 140782388

IUPAC4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12)c1c(C(N)=O)noc1C
InChIInChI=1S/C23H26N4O5/c1-13(22(29)25-11-16-9-6-8-15-7-4-5-10-17(15)16)26-23(30)18(12-31-3)19-14(2)32-27-20(19)21(24)28/h4-10,13,18H,11-12H2,1-3H3,(H2,24,28)(H,25,29)(H,26,30)/t13-,18+/m0/s1
InChIKeyHCHKOXPBJJMOCJ-SCLBCKFNSA-N
MW438.48 g/mol
LogP1.79
Rot. Bonds9

About 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 140782388) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID140782388
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12)c1c(C(N)=O)noc1C
InChIInChI=1S/C23H26N4O5/c1-13(22(29)25-11-16-9-6-8-15-7-4-5-10-17(15)16)26-23(30)18(12-31-3)19-14(2)32-27-20(19)21(24)28/h4-10,13,18H,11-12H2,1-3H3,(H2,24,28)(H,25,29)(H,26,30)/t13-,18+/m0/s1
InChIKeyHCHKOXPBJJMOCJ-SCLBCKFNSA-N
XLogP1.79
TPSA136.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 118226803
(2S)-2-amino-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanamide
CID 139397810
(3S)-3-amino-4-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 118226744
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanediamide
CID 129093845
(2S)-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanediamide
CID 129094803
(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
CID 118234330
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
(2R,5S)-6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)-4-oxo-5-(3-phenylpropanoylamino)hexanamide
CID 158584949
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869
(3S)-4-[[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxo-3-(3-phenylpropylamino)butanoic acid
CID 118226695

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 140782388) is 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12)c1c(C(N)=O)noc1C.
What is the InChIKey of 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HCHKOXPBJJMOCJ-SCLBCKFNSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-13(22(29)25-11-16-9-6-8-15-7-4-5-10-17(15)16)26-23(30)18(12-31-3)19-14(2)32-27-20(19)21(24)28/h4-10,13,18H,11-12H2,1-3H3,(H2,24,28)(H,25,29)(H,26,30)/t13-,18+/m0/s1.
What are the key properties of 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 140782388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).