3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide

C20H34N4O3 — CID 110622697

IUPAC3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCC1(N2CCOCC2)CCN(C)CC1
InChIInChI=1S/C20H34N4O3/c1-15-16(17(22-27-15)19(2,3)4)18(25)21-14-20(6-8-23(5)9-7-20)24-10-12-26-13-11-24/h6-14H2,1-5H3,(H,21,25)
InChIKeyGBNOVFVFZDSUQV-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.81
Rot. Bonds4

About 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 110622697) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID110622697
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCC1(N2CCOCC2)CCN(C)CC1
InChIInChI=1S/C20H34N4O3/c1-15-16(17(22-27-15)19(2,3)4)18(25)21-14-20(6-8-23(5)9-7-20)24-10-12-26-13-11-24/h6-14H2,1-5H3,(H,21,25)
InChIKeyGBNOVFVFZDSUQV-UHFFFAOYSA-N
XLogP1.81
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110622690
2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505032
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
CID 112505002
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110609669
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110303417
3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110626179
3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110409295
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
CID 110303397

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide (CID 110622697) is 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)NCC1(N2CCOCC2)CCN(C)CC1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GBNOVFVFZDSUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-15-16(17(22-27-15)19(2,3)4)18(25)21-14-20(6-8-23(5)9-7-20)24-10-12-26-13-11-24/h6-14H2,1-5H3,(H,21,25).
What are the key properties of 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110622697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).