N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide

C16H25N3O4 — CID 110127537

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)no1
InChIInChI=1S/C16H25N3O4/c1-2-3-11-10-13(18-23-11)16(21)17-12-4-5-14(15(12)20)19-6-8-22-9-7-19/h10,12,14-15,20H,2-9H2,1H3,(H,17,21)/t12-,14-,15-/m1/s1
InChIKeyAXCHLWLIRAKOKV-BPLDGKMQSA-N
MW323.39 g/mol
LogP0.58
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 110127537) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID110127537
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)no1
InChIInChI=1S/C16H25N3O4/c1-2-3-11-10-13(18-23-11)16(21)17-12-4-5-14(15(12)20)19-6-8-22-9-7-19/h10,12,14-15,20H,2-9H2,1H3,(H,17,21)/t12-,14-,15-/m1/s1
InChIKeyAXCHLWLIRAKOKV-BPLDGKMQSA-N
XLogP0.58
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 110127537) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)no1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is AXCHLWLIRAKOKV-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-2-3-11-10-13(18-23-11)16(21)17-12-4-5-14(15(12)20)19-6-8-22-9-7-19/h10,12,14-15,20H,2-9H2,1H3,(H,17,21)/t12-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110127537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).