tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate

C17H27N3O4 — CID 76831366

IUPACtert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)c1cc(NC(=O)C2CCCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C17H27N3O4/c1-11(2)12-10-14(24-19-12)18-15(21)13-8-6-7-9-20(13)16(22)23-17(3,4)5/h10-11,13H,6-9H2,1-5H3,(H,18,21)
InChIKeyMLECMGLSHJQDJV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 76831366) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID76831366
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)c1cc(NC(=O)C2CCCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C17H27N3O4/c1-11(2)12-10-14(24-19-12)18-15(21)13-8-6-7-9-20(13)16(22)23-17(3,4)5/h10-11,13H,6-9H2,1-5H3,(H,18,21)
InChIKeyMLECMGLSHJQDJV-UHFFFAOYSA-N
XLogP3.53
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
tert-butyl (2S)-2-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 140885149
tert-butyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110624716
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2R)-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 94799566
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 95179847
tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate
CID 58563765
tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 75467174
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl (2R)-2-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 36765757
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 75467196

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate (CID 76831366) is tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate is CC(C)c1cc(NC(=O)C2CCCCN2C(=O)OC(C)(C)C)on1.
What is the InChIKey of tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is MLECMGLSHJQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11(2)12-10-14(24-19-12)18-15(21)13-8-6-7-9-20(13)16(22)23-17(3,4)5/h10-11,13H,6-9H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 76831366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).