3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide

C16H25N3O4 — CID 91957824

IUPAC3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCOCC3)CCOCC2)on1
InChIInChI=1S/C16H25N3O4/c1-13-10-14(23-18-13)15(20)17-11-16(2-6-21-7-3-16)12-19-4-8-22-9-5-19/h10H,2-9,11-12H2,1H3,(H,17,20)
InChIKeyPUHSXPXJULAVHB-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.84
Rot. Bonds5

About 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 91957824) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID91957824
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2(CN3CCOCC3)CCOCC2)on1
InChIInChI=1S/C16H25N3O4/c1-13-10-14(23-18-13)15(20)17-11-16(2-6-21-7-3-16)12-19-4-8-22-9-5-19/h10H,2-9,11-12H2,1H3,(H,17,20)
InChIKeyPUHSXPXJULAVHB-UHFFFAOYSA-N
XLogP0.84
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide
CID 91957828
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51120737
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397
3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91957324
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 124997099
3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957844

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 91957824) is 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC2(CN3CCOCC3)CCOCC2)on1.
What is the InChIKey of 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PUHSXPXJULAVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-13-10-14(23-18-13)15(20)17-11-16(2-6-21-7-3-16)12-19-4-8-22-9-5-19/h10H,2-9,11-12H2,1H3,(H,17,20).
What are the key properties of 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91957824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).