N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C18H20N4O3S — CID 118780330

IUPACN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCn1c(=O)oc2cc(NC(=O)N3CCCCC3c3nccs3)ccc21
InChIInChI=1S/C18H20N4O3S/c1-2-21-13-7-6-12(11-15(13)25-18(21)24)20-17(23)22-9-4-3-5-14(22)16-19-8-10-26-16/h6-8,10-11,14H,2-5,9H2,1H3,(H,20,23)
InChIKeyHXBLCXZJNZIUHN-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.83
Rot. Bonds3

About N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 118780330) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID118780330
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCn1c(=O)oc2cc(NC(=O)N3CCCCC3c3nccs3)ccc21
InChIInChI=1S/C18H20N4O3S/c1-2-21-13-7-6-12(11-15(13)25-18(21)24)20-17(23)22-9-4-3-5-14(22)16-19-8-10-26-16/h6-8,10-11,14H,2-5,9H2,1H3,(H,20,23)
InChIKeyHXBLCXZJNZIUHN-UHFFFAOYSA-N
XLogP3.83
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 126437438
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 74245239
(2S)-N-(6-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97434584
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97283745
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818290
(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
N-[2-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 121495520
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97445838
N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 118790272
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 97283816
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 118780330) is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is CCn1c(=O)oc2cc(NC(=O)N3CCCCC3c3nccs3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is HXBLCXZJNZIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-2-21-13-7-6-12(11-15(13)25-18(21)24)20-17(23)22-9-4-3-5-14(22)16-19-8-10-26-16/h6-8,10-11,14H,2-5,9H2,1H3,(H,20,23).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118780330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).