N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide

C27H24N4O4 — CID 70155605

IUPACN-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)NC1CCN(C=C2N=C(c3cccc4ccccc34)OC2=O)CC1
InChIInChI=1S/C27H24N4O4/c32-24(19-8-2-1-3-9-19)30-27(34)28-20-13-15-31(16-14-20)17-23-26(33)35-25(29-23)22-12-6-10-18-7-4-5-11-21(18)22/h1-12,17,20H,13-16H2,(H2,28,30,32,34)
InChIKeyZQFYFTBMURWIAU-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.59
Rot. Bonds4

About N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide

N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide (PubChem CID 70155605) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide
PubChem CID70155605
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)NC1CCN(C=C2N=C(c3cccc4ccccc34)OC2=O)CC1
InChIInChI=1S/C27H24N4O4/c32-24(19-8-2-1-3-9-19)30-27(34)28-20-13-15-31(16-14-20)17-23-26(33)35-25(29-23)22-12-6-10-18-7-4-5-11-21(18)22/h1-12,17,20H,13-16H2,(H2,28,30,32,34)
InChIKeyZQFYFTBMURWIAU-UHFFFAOYSA-N
XLogP3.59
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide?
The IUPAC name of N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide (CID 70155605) is N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide.
What is the SMILES notation for N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide?
The canonical SMILES for N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)NC1CCN(C=C2N=C(c3cccc4ccccc34)OC2=O)CC1.
What is the InChIKey of N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide?
The InChIKey is ZQFYFTBMURWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c32-24(19-8-2-1-3-9-19)30-27(34)28-20-13-15-31(16-14-20)17-23-26(33)35-25(29-23)22-12-6-10-18-7-4-5-11-21(18)22/h1-12,17,20H,13-16H2,(H2,28,30,32,34).
What are the key properties of N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide?
N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide has a molecular weight of 468.51 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide is sourced from PubChem (CID 70155605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).