5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide

C16H25N3O3 — CID 95129634

IUPAC5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1cc(C2CC2)on1)N1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-11(2)14(19-5-7-21-8-6-19)10-17-16(20)13-9-15(22-18-13)12-3-4-12/h9,11-12,14H,3-8,10H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyACRCFTSPZXLUOG-AWEZNQCLSA-N
MW307.39 g/mol
LogP1.64
Rot. Bonds6

About 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide (PubChem CID 95129634) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide
PubChem CID95129634
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1cc(C2CC2)on1)N1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-11(2)14(19-5-7-21-8-6-19)10-17-16(20)13-9-15(22-18-13)12-3-4-12/h9,11-12,14H,3-8,10H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyACRCFTSPZXLUOG-AWEZNQCLSA-N
XLogP1.64
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide (CID 95129634) is 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide is CC(C)[C@H](CNC(=O)c1cc(C2CC2)on1)N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ACRCFTSPZXLUOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)14(19-5-7-21-8-6-19)10-17-16(20)13-9-15(22-18-13)12-3-4-12/h9,11-12,14H,3-8,10H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95129634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).