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

C18H28N2O2 — CID 56774066

IUPACN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(=O)C3CC3)C2(C)C)no1
InChIInChI=1S/C18H28N2O2/c1-4-5-6-15-11-14(20-22-15)9-13-10-16(18(13,2)3)19-17(21)12-7-8-12/h11-13,16H,4-10H2,1-3H3,(H,19,21)/t13-,16+/m1/s1
InChIKeyUPXODUIYHFAWBO-CJNGLKHVSA-N
MW304.43 g/mol
LogP3.50
Rot. Bonds7

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

N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide (PubChem CID 56774066) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide
PubChem CID56774066
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(=O)C3CC3)C2(C)C)no1
InChIInChI=1S/C18H28N2O2/c1-4-5-6-15-11-14(20-22-15)9-13-10-16(18(13,2)3)19-17(21)12-7-8-12/h11-13,16H,4-10H2,1-3H3,(H,19,21)/t13-,16+/m1/s1
InChIKeyUPXODUIYHFAWBO-CJNGLKHVSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-fluorobenzamide
CID 56774067
N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774179
US11802111, Example 382
CID 164710405
5-[2-(2-Azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole
CID 25140218
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
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
CID 56774206

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide (CID 56774066) is N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide is CCCCc1cc(C[C@@H]2C[C@H](NC(=O)C3CC3)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide?
The InChIKey is UPXODUIYHFAWBO-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-5-6-15-11-14(20-22-15)9-13-10-16(18(13,2)3)19-17(21)12-7-8-12/h11-13,16H,4-10H2,1-3H3,(H,19,21)/t13-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide?
N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 56774066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).