tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate

C15H26N4O4 — CID 24874411

IUPACtert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(N2CCOCC2)o1
InChIInChI=1S/C15H26N4O4/c1-10(2)11(16-14(20)23-15(3,4)5)12-17-18-13(22-12)19-6-8-21-9-7-19/h10-11H,6-9H2,1-5H3,(H,16,20)/t11-/m0/s1
InChIKeyXGFCJPJZQGTWOC-NSHDSACASA-N
MW326.40 g/mol
LogP2.13
Rot. Bonds4

About tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate

tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate (PubChem CID 24874411) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate
PubChem CID24874411
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(N2CCOCC2)o1
InChIInChI=1S/C15H26N4O4/c1-10(2)11(16-14(20)23-15(3,4)5)12-17-18-13(22-12)19-6-8-21-9-7-19/h10-11H,6-9H2,1-5H3,(H,16,20)/t11-/m0/s1
InChIKeyXGFCJPJZQGTWOC-NSHDSACASA-N
XLogP2.13
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 139227790
(2S)-2-[[(1S)-1-[5-(2,5-dioxopiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 122542141
2-[[1-[5-(2,5-Dioxopiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 134255544
tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 163502095
2-Methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 24255156
2-Methyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 24255157
3-Methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)butan-1-amine
CID 24255169
Methyl 3-methyl-2-[[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]amino]butanoate
CID 61671004
Methyl 2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoate
CID 61671568
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[methyl(morpholin-2-ylmethyl)amino]acetamide
CID 81691475
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(methylaminomethyl)morpholin-4-yl]acetamide
CID 81694656
2-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-1-morpholin-4-ylethanone
CID 86806563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate (CID 24874411) is tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(N2CCOCC2)o1.
What is the InChIKey of tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate?
The InChIKey is XGFCJPJZQGTWOC-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O4/c1-10(2)11(16-14(20)23-15(3,4)5)12-17-18-13(22-12)19-6-8-21-9-7-19/h10-11H,6-9H2,1-5H3,(H,16,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate?
tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 24874411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).