N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

C16H23N5O3 — CID 47862381

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NCc3c(C)noc3C)CC2)on1
InChIInChI=1S/C16H23N5O3/c1-11-8-14(24-18-11)10-20-4-6-21(7-5-20)16(22)17-9-15-12(2)19-23-13(15)3/h8H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyXRHWITQRTVXSLH-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.62
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 47862381) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID47862381
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NCc3c(C)noc3C)CC2)on1
InChIInChI=1S/C16H23N5O3/c1-11-8-14(24-18-11)10-20-4-6-21(7-5-20)16(22)17-9-15-12(2)19-23-13(15)3/h8H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyXRHWITQRTVXSLH-UHFFFAOYSA-N
XLogP1.62
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (CID 47862381) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NCc3c(C)noc3C)CC2)on1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is XRHWITQRTVXSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-8-14(24-18-11)10-20-4-6-21(7-5-20)16(22)17-9-15-12(2)19-23-13(15)3/h8H,4-7,9-10H2,1-3H3,(H,17,22).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 47862381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).