N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide

C20H31N3O3 — CID 56774210

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)C1CCC1
InChIInChI=1S/C20H31N3O3/c1-20(2)15(11-18(20)21-19(24)14-4-3-5-14)10-16-12-17(26-22-16)13-23-6-8-25-9-7-23/h12,14-15,18H,3-11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyYOWPFGJZNOOEJD-QAPCUYQASA-N
MW361.49 g/mol
LogP2.38
Rot. Bonds6

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide

N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide (PubChem CID 56774210) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide
PubChem CID56774210
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)C1CCC1
InChIInChI=1S/C20H31N3O3/c1-20(2)15(11-18(20)21-19(24)14-4-3-5-14)10-16-12-17(26-22-16)13-23-6-8-25-9-7-23/h12,14-15,18H,3-11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyYOWPFGJZNOOEJD-QAPCUYQASA-N
XLogP2.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 5307969
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
(3S,14R,16S)-16-[(1R)-2-[[(1S)-1-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]ethyl]amino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
CID 166612070
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
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 40777345
N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774030
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
CID 56774206
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2,2-dimethylpropanamide
CID 56774208

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide (CID 56774210) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide is CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)C1CCC1.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide?
The InChIKey is YOWPFGJZNOOEJD-QAPCUYQASA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2)15(11-18(20)21-19(24)14-4-3-5-14)10-16-12-17(26-22-16)13-23-6-8-25-9-7-23/h12,14-15,18H,3-11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]cyclobutanecarboxamide is sourced from PubChem (CID 56774210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).