4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

C19H25N5O4 — CID 110233591

IUPAC4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCC(=O)N1CCC(c2onc3c2CC(C)CC3)CC1
InChIInChI=1S/C19H25N5O4/c1-11-3-4-15-14(9-11)18(27-22-15)13-5-7-24(8-6-13)16(25)10-20-19(26)17-12(2)21-28-23-17/h11,13H,3-10H2,1-2H3,(H,20,26)
InChIKeySCOBGMYMDRLEDT-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.63
Rot. Bonds4

About 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 110233591) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID110233591
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCC(=O)N1CCC(c2onc3c2CC(C)CC3)CC1
InChIInChI=1S/C19H25N5O4/c1-11-3-4-15-14(9-11)18(27-22-15)13-5-7-24(8-6-13)16(25)10-20-19(26)17-12(2)21-28-23-17/h11,13H,3-10H2,1-2H3,(H,20,26)
InChIKeySCOBGMYMDRLEDT-UHFFFAOYSA-N
XLogP1.63
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

2-methoxy-1-[4-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidin-1-yl]ethanone
CID 95852135
2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 110233569
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 110233596
(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 51593241
[4-(5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
CID 110233544
(3R)-1-[4-[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidin-1-yl]-3-imidazol-1-ylbutan-1-one
CID 92581698
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
N-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 124973489
N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide
CID 42279932
5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 83849587
3-methyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]butanamide
CID 42279718
(2S)-1-[4-[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
CID 95852072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (CID 110233591) is 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCC(=O)N1CCC(c2onc3c2CC(C)CC3)CC1.
What is the InChIKey of 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is SCOBGMYMDRLEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-11-3-4-15-14(9-11)18(27-22-15)13-5-7-24(8-6-13)16(25)10-20-19(26)17-12(2)21-28-23-17/h11,13H,3-10H2,1-2H3,(H,20,26).
What are the key properties of 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 110233591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).