4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

C16H20N4O3 — CID 146139777

IUPAC4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)N1CCC(c2ccon2)CC1
InChIInChI=1S/C16H20N4O3/c21-16(17-15-12-3-1-2-4-14(12)23-19-15)20-8-5-11(6-9-20)13-7-10-22-18-13/h7,10-11H,1-6,8-9H2,(H,17,19,21)
InChIKeyDVXKNAXFQANRFO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.95
Rot. Bonds2

About 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (PubChem CID 146139777) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
PubChem CID146139777
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)N1CCC(c2ccon2)CC1
InChIInChI=1S/C16H20N4O3/c21-16(17-15-12-3-1-2-4-14(12)23-19-15)20-8-5-11(6-9-20)13-7-10-22-18-13/h7,10-11H,1-6,8-9H2,(H,17,19,21)
InChIKeyDVXKNAXFQANRFO-UHFFFAOYSA-N
XLogP2.95
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
CID 146139780
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide
CID 154786144
4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide
CID 126825466
N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 136553465
4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
CID 138011509
N-(6-methoxy-2-methyl-3-pyridinyl)-3-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 138047057
N-[4-[2-oxo-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 146106824
6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865162
[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110106016
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157281554
[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 166211367

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (CID 146139777) is 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is O=C(Nc1noc2c1CCCC2)N1CCC(c2ccon2)CC1.
What is the InChIKey of 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is DVXKNAXFQANRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(17-15-12-3-1-2-4-14(12)23-19-15)20-8-5-11(6-9-20)13-7-10-22-18-13/h7,10-11H,1-6,8-9H2,(H,17,19,21).
What are the key properties of 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146139777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).