tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate

C18H27N3O4 — CID 126454979

IUPACtert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ocnc2C2CC2)C1(C)C
InChIInChI=1S/C18H27N3O4/c1-17(2,3)25-16(23)21-12-8-11(18(12,4)5)20-15(22)14-13(10-6-7-10)19-9-24-14/h9-12H,6-8H2,1-5H3,(H,20,22)(H,21,23)/t11-,12-/m0/s1
InChIKeyBVNJCVKFAVAJIT-RYUDHWBXSA-N
MW349.43 g/mol
LogP2.97
Rot. Bonds4

About tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate

tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate (PubChem CID 126454979) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate
PubChem CID126454979
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ocnc2C2CC2)C1(C)C
InChIInChI=1S/C18H27N3O4/c1-17(2,3)25-16(23)21-12-8-11(18(12,4)5)20-15(22)14-13(10-6-7-10)19-9-24-14/h9-12H,6-8H2,1-5H3,(H,20,22)(H,21,23)/t11-,12-/m0/s1
InChIKeyBVNJCVKFAVAJIT-RYUDHWBXSA-N
XLogP2.97
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2,2-dimethyl-3-(3-pyrazin-2-ylpropanoylamino)cyclobutyl]carbamate
CID 126839890
trans-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 15819068
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] methanesulfonate
CID 131123206
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
5-cyclopropyl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 125143726
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate (CID 126454979) is tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ocnc2C2CC2)C1(C)C.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate?
The InChIKey is BVNJCVKFAVAJIT-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-17(2,3)25-16(23)21-12-8-11(18(12,4)5)20-15(22)14-13(10-6-7-10)19-9-24-14/h9-12H,6-8H2,1-5H3,(H,20,22)(H,21,23)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate?
tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-[(4-cyclopropyl-1,3-oxazole-5-carbonyl)amino]-2,2-dimethylcyclobutyl]carbamate is sourced from PubChem (CID 126454979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).