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

C24H27N3O4 — CID 70157718

IUPACpropan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)OC(=O)NCC1CCN(C=C2N=C(c3cccc4ccccc34)OC2=O)CC1
InChIInChI=1S/C24H27N3O4/c1-16(2)30-24(29)25-14-17-10-12-27(13-11-17)15-21-23(28)31-22(26-21)20-9-5-7-18-6-3-4-8-19(18)20/h3-9,15-17H,10-14H2,1-2H3,(H,25,29)
InChIKeyJJOPYTLODMISTA-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.83
Rot. Bonds5

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

propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate (PubChem CID 70157718) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate
PubChem CID70157718
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Namepropan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)OC(=O)NCC1CCN(C=C2N=C(c3cccc4ccccc34)OC2=O)CC1
InChIInChI=1S/C24H27N3O4/c1-16(2)30-24(29)25-14-17-10-12-27(13-11-17)15-21-23(28)31-22(26-21)20-9-5-7-18-6-3-4-8-19(18)20/h3-9,15-17H,10-14H2,1-2H3,(H,25,29)
InChIKeyJJOPYTLODMISTA-UHFFFAOYSA-N
XLogP3.83
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N-phenylpiperidine-4-carboxamide
CID 54397574
N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]carbamoyl]benzamide
CID 70155605
4-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N'-(2-propan-2-ylphenyl)piperazine-1-carboximidamide
CID 70157833
4-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperazine-1-carboximidamide;hydrochloride
CID 70159076
2-naphthalen-1-yl-4-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one
CID 54128564
methyl 4-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]benzoate
CID 1098812
molecular hydrogen;propan-2-yl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 158588972
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
4-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N'-(4-phenylmethoxyphenyl)piperazine-1-carboximidamide
CID 22629278
molecular hydrogen;propan-2-yl N-[[(3S)-1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-3-yl]methyl]carbamate
CID 157251616
4-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 4248810
2-methylpropyl N-methyl-N-[6-[methyl-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]hexyl]carbamate
CID 70158728

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate (CID 70157718) is propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate is CC(C)OC(=O)NCC1CCN(C=C2N=C(c3cccc4ccccc34)OC2=O)CC1.
What is the InChIKey of propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is JJOPYTLODMISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16(2)30-24(29)25-14-17-10-12-27(13-11-17)15-21-23(28)31-22(26-21)20-9-5-7-18-6-3-4-8-19(18)20/h3-9,15-17H,10-14H2,1-2H3,(H,25,29).
What are the key properties of propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate?
propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[1-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 70157718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).