methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate

C16H23N3O6 — CID 97260375

IUPACmethyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)on1
InChIInChI=1S/C16H23N3O6/c1-16(2,3)24-15(22)17-8-11(9-5-6-9)18-13(20)12-7-10(19-25-12)14(21)23-4/h7,9,11H,5-6,8H2,1-4H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyGHNQSMVRTJTDNQ-LLVKDONJSA-N
MW353.38 g/mol
LogP1.49
Rot. Bonds6

About methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate

methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate (PubChem CID 97260375) has the molecular formula C16H23N3O6 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate
PubChem CID97260375
Molecular FormulaC16H23N3O6
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Namemethyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)on1
InChIInChI=1S/C16H23N3O6/c1-16(2,3)24-15(22)17-8-11(9-5-6-9)18-13(20)12-7-10(19-25-12)14(21)23-4/h7,9,11H,5-6,8H2,1-4H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyGHNQSMVRTJTDNQ-LLVKDONJSA-N
XLogP1.49
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(2R)-2-cyclopropyl-2-(furan-2-carbonylamino)ethyl]carbamate
CID 95776013
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[(2R)-2-cyclopropyl-2-(2-methylpent-2-enoylamino)ethyl]carbamate
CID 164636461
tert-butyl N-[(2R)-2-cyclopropyl-2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]carbamate
CID 95776005
5-[[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]furan-2-carboxylic acid
CID 107251769
tert-butyl N-[1-cyclopropyl-2-[(4-methoxyphenyl)methylamino]ethyl]carbamate
CID 103872184
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]-2-cyclopropylethyl]carbamate
CID 107251723

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate (CID 97260375) is methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)on1.
What is the InChIKey of methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate?
The InChIKey is GHNQSMVRTJTDNQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O6/c1-16(2,3)24-15(22)17-8-11(9-5-6-9)18-13(20)12-7-10(19-25-12)14(21)23-4/h7,9,11H,5-6,8H2,1-4H3,(H,17,22)(H,18,20)/t11-/m1/s1.
What are the key properties of methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate?
methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1S)-1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 97260375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).