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

C21H23ClN2O2 — CID 16866721

IUPACN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccc(Cl)cc2)on1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H23ClN2O2/c22-17-3-1-16(2-4-17)19-8-18(24-26-19)12-23-20(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H,23,25)
InChIKeyTVWOEWDAUZOJPY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.83
Rot. Bonds4

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

N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide (PubChem CID 16866721) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
PubChem CID16866721
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccc(Cl)cc2)on1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H23ClN2O2/c22-17-3-1-16(2-4-17)19-8-18(24-26-19)12-23-20(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H,23,25)
InChIKeyTVWOEWDAUZOJPY-UHFFFAOYSA-N
XLogP4.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-nitrobenzamide
CID 16866764
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 34573326
1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
CID 70785942
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide (CID 16866721) is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide is O=C(NCc1cc(-c2ccc(Cl)cc2)on1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
The InChIKey is TVWOEWDAUZOJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-17-3-1-16(2-4-17)19-8-18(24-26-19)12-23-20(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H,23,25).
What are the key properties of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide?
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 16866721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).