(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide

C18H27N3O5 — CID 6723462

IUPAC(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide
SMILESCC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)Nc1ccon1
InChIInChI=1S/C18H27N3O5/c1-17(2)11-4-6-18(17,3)15(24)10(11)8-14(23)19-12(9-22)16(25)20-13-5-7-26-21-13/h5,7,10-12,15,22,24H,4,6,8-9H2,1-3H3,(H,19,23)(H,20,21,25)/t10?,11?,12-,15?,18?/m0/s1
InChIKeyQUNGWJNZSGRCFO-WNHZDGABSA-N
MW365.43 g/mol
LogP0.91
Rot. Bonds6

About (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide

(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 6723462) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide
PubChem CID6723462
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide
SMILESCC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)Nc1ccon1
InChIInChI=1S/C18H27N3O5/c1-17(2)11-4-6-18(17,3)15(24)10(11)8-14(23)19-12(9-22)16(25)20-13-5-7-26-21-13/h5,7,10-12,15,22,24H,4,6,8-9H2,1-3H3,(H,19,23)(H,20,21,25)/t10?,11?,12-,15?,18?/m0/s1
InChIKeyQUNGWJNZSGRCFO-WNHZDGABSA-N
XLogP0.91
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide (CID 6723462) is (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide is CC1(C)C2CCC1(C)C(O)C2CC(=O)N[C@@H](CO)C(=O)Nc1ccon1.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is QUNGWJNZSGRCFO-WNHZDGABSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-17(2)11-4-6-18(17,3)15(24)10(11)8-14(23)19-12(9-22)16(25)20-13-5-7-26-21-13/h5,7,10-12,15,22,24H,4,6,8-9H2,1-3H3,(H,19,23)(H,20,21,25)/t10?,11?,12-,15?,18?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide?
(2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 6723462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).