3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide

C17H29N3O2 — CID 46991432

IUPAC3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCC(C)c1cc(CNC(=O)CCN2CCCCCCC2)no1
InChIInChI=1S/C17H29N3O2/c1-14(2)16-12-15(19-22-16)13-18-17(21)8-11-20-9-6-4-3-5-7-10-20/h12,14H,3-11,13H2,1-2H3,(H,18,21)
InChIKeyHDMWLFWXWBZEJR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.07
Rot. Bonds6

About 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide

3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide (PubChem CID 46991432) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
PubChem CID46991432
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCC(C)c1cc(CNC(=O)CCN2CCCCCCC2)no1
InChIInChI=1S/C17H29N3O2/c1-14(2)16-12-15(19-22-16)13-18-17(21)8-11-20-9-6-4-3-5-7-10-20/h12,14H,3-11,13H2,1-2H3,(H,18,21)
InChIKeyHDMWLFWXWBZEJR-UHFFFAOYSA-N
XLogP3.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556200
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 122569470
methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate
CID 112533443
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide
CID 122567369
3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
CID 131916605
2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide
CID 122562953
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide (CID 46991432) is 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide is CC(C)c1cc(CNC(=O)CCN2CCCCCCC2)no1.
What is the InChIKey of 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide?
The InChIKey is HDMWLFWXWBZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14(2)16-12-15(19-22-16)13-18-17(21)8-11-20-9-6-4-3-5-7-10-20/h12,14H,3-11,13H2,1-2H3,(H,18,21).
What are the key properties of 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide?
3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide is sourced from PubChem (CID 46991432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).