tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate

C17H29N5O5 — CID 97251166

IUPACtert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate
SMILESCCCC[C@H](NC(N)=O)c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H29N5O5/c1-5-6-7-11(19-15(18)23)14-20-13(21-27-14)12-10-25-9-8-22(12)16(24)26-17(2,3)4/h11-12H,5-10H2,1-4H3,(H3,18,19,23)/t11-,12-/m0/s1
InChIKeyVQYGYGIZFFBERH-RYUDHWBXSA-N
MW383.45 g/mol
LogP2.28
Rot. Bonds6

About tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate

tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate (PubChem CID 97251166) has the molecular formula C17H29N5O5 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate
PubChem CID97251166
Molecular FormulaC17H29N5O5
Molecular Weight383.45 g/mol
Exact Mass383.22
IUPAC Nametert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate
SMILESCCCC[C@H](NC(N)=O)c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H29N5O5/c1-5-6-7-11(19-15(18)23)14-20-13(21-27-14)12-10-25-9-8-22(12)16(24)26-17(2,3)4/h11-12H,5-10H2,1-4H3,(H3,18,19,23)/t11-,12-/m0/s1
InChIKeyVQYGYGIZFFBERH-RYUDHWBXSA-N
XLogP2.28
TPSA132.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
CID 97184598
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CID 172992700
N,N-diethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75484023
tert-butyl 3-(1-hydroxyheptyl)morpholine-4-carboxylate
CID 103554147
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate
CID 124709726
tert-butyl 3-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate
CID 75395416
tert-butyl (3S)-3-[5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate
CID 97251159
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
CID 67388382
tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
CID 166160542
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate (CID 97251166) is tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate is CCCC[C@H](NC(N)=O)c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate?
The InChIKey is VQYGYGIZFFBERH-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H29N5O5/c1-5-6-7-11(19-15(18)23)14-20-13(21-27-14)12-10-25-9-8-22(12)16(24)26-17(2,3)4/h11-12H,5-10H2,1-4H3,(H3,18,19,23)/t11-,12-/m0/s1.
What are the key properties of tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate?
tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[5-[(1S)-1-(carbamoylamino)pentyl]-1,2,4-oxadiazol-3-yl]morpholine-4-carboxylate is sourced from PubChem (CID 97251166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).