2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C17H29N3O3 — CID 84577008

IUPAC2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nc(C(C)(C)C)oc1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-13-14(23-16(19-13)17(2,3)4)12-15(21)18-6-5-7-20-8-10-22-11-9-20/h5-12H2,1-4H3,(H,18,21)
InChIKeyOIWITAKJDPWNFZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.66
Rot. Bonds6

About 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 84577008) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID84577008
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1nc(C(C)(C)C)oc1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-13-14(23-16(19-13)17(2,3)4)12-15(21)18-6-5-7-20-8-10-22-11-9-20/h5-12H2,1-4H3,(H,18,21)
InChIKeyOIWITAKJDPWNFZ-UHFFFAOYSA-N
XLogP1.66
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110450729
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
2,4,5-trimethyl-N-(3-morpholin-4-ylpropyl)furan-3-carboxamide
CID 47136432
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
CID 7576732
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 84577008) is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1nc(C(C)(C)C)oc1CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is OIWITAKJDPWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13-14(23-16(19-13)17(2,3)4)12-15(21)18-6-5-7-20-8-10-22-11-9-20/h5-12H2,1-4H3,(H,18,21).
What are the key properties of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 84577008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).