1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea

C17H29N3O2 — CID 56774051

IUPAC1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea
SMILESCCNC(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C
InChIInChI=1S/C17H29N3O2/c1-7-18-15(21)19-13-9-11(17(13,5)6)8-12-10-14(22-20-12)16(2,3)4/h10-11,13H,7-9H2,1-6H3,(H2,18,19,21)/t11-,13+/m1/s1
InChIKeyYJGXOBRWQGDLPG-YPMHNXCESA-N
MW307.44 g/mol
LogP3.25
Rot. Bonds4

About 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea

1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea (PubChem CID 56774051) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea
PubChem CID56774051
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea
SMILESCCNC(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C
InChIInChI=1S/C17H29N3O2/c1-7-18-15(21)19-13-9-11(17(13,5)6)8-12-10-14(22-20-12)16(2,3)4/h10-11,13H,7-9H2,1-6H3,(H2,18,19,21)/t11-,13+/m1/s1
InChIKeyYJGXOBRWQGDLPG-YPMHNXCESA-N
XLogP3.25
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea with MolForge

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Related Compounds

2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
CID 40777334
N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774179
N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 25313431
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26742891
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
CID 26742967
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26742995
N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774030
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
CID 56774050
1-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-3-propan-2-ylurea
CID 56774105
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide
CID 56774208
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide
CID 56774210
1-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-3-propan-2-ylurea
CID 56774213

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea?
The IUPAC name of 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea (CID 56774051) is 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea.
What is the SMILES notation for 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea?
The canonical SMILES for 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea is CCNC(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C.
What is the InChIKey of 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea?
The InChIKey is YJGXOBRWQGDLPG-YPMHNXCESA-N. The full InChI is InChI=1S/C17H29N3O2/c1-7-18-15(21)19-13-9-11(17(13,5)6)8-12-10-14(22-20-12)16(2,3)4/h10-11,13H,7-9H2,1-6H3,(H2,18,19,21)/t11-,13+/m1/s1.
What are the key properties of 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea?
1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea has a molecular weight of 307.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-ethylurea is sourced from PubChem (CID 56774051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).