(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

C17H24N4O4 — CID 126438969

IUPAC(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)on1
InChIInChI=1S/C17H24N4O4/c1-13-9-16(25-19-13)10-18-17(23)21-6-5-20(14(11-21)4-7-22)12-15-3-2-8-24-15/h2-3,8-9,14,22H,4-7,10-12H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyQTKUNDFSCMXNTH-CQSZACIVSA-N
MW348.40 g/mol
LogP1.35
Rot. Bonds6

About (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 126438969) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID126438969
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)on1
InChIInChI=1S/C17H24N4O4/c1-13-9-16(25-19-13)10-18-17(23)21-6-5-20(14(11-21)4-7-22)12-15-3-2-8-24-15/h2-3,8-9,14,22H,4-7,10-12H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyQTKUNDFSCMXNTH-CQSZACIVSA-N
XLogP1.35
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97435879
2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol
CID 72870710
(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 126438993
(3S,4S)-4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 98542845
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 49130402
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119068232
2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62309915
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106498
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101
(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129327735
2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 70753618

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (CID 126438969) is (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is Cc1cc(CNC(=O)N2CCN(Cc3ccco3)[C@H](CCO)C2)on1.
What is the InChIKey of (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is QTKUNDFSCMXNTH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-13-9-16(25-19-13)10-18-17(23)21-6-5-20(14(11-21)4-7-22)12-15-3-2-8-24-15/h2-3,8-9,14,22H,4-7,10-12H2,1H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 126438969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).