N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide

C16H22N4O3 — CID 110358081

IUPACN,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C16H22N4O3/c1-3-18(4-2)16(22)20-10-8-19(9-11-20)13-7-5-6-12-14(13)23-15(21)17-12/h5-7H,3-4,8-11H2,1-2H3,(H,17,21)
InChIKeyCRCRXALSWACXOP-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.70
Rot. Bonds3

About N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide

N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide (PubChem CID 110358081) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide
PubChem CID110358081
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C16H22N4O3/c1-3-18(4-2)16(22)20-10-8-19(9-11-20)13-7-5-6-12-14(13)23-15(21)17-12/h5-7H,3-4,8-11H2,1-2H3,(H,17,21)
InChIKeyCRCRXALSWACXOP-UHFFFAOYSA-N
XLogP1.70
TPSA72.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxylate
CID 170979759
7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358018
7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110355132
7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358026
7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
CID 20644640
7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one
CID 15950607
N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)piperazine-1-carboxamide
CID 110400164
7-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358109
7-[(3R,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one
CID 143239451
7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358105
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
7-methyl-3H-1,3-benzoxazol-2-one;propane
CID 142969733

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide (CID 110358081) is N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2cccc3[nH]c(=O)oc23)CC1.
What is the InChIKey of N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide?
The InChIKey is CRCRXALSWACXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-18(4-2)16(22)20-10-8-19(9-11-20)13-7-5-6-12-14(13)23-15(21)17-12/h5-7H,3-4,8-11H2,1-2H3,(H,17,21).
What are the key properties of N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide?
N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110358081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).