N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide

C21H24N2O2 — CID 71769056

IUPACN-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H24N2O2/c24-20(18-9-19(25-23-18)17-4-2-1-3-5-17)22-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16H,6-8,10-13H2,(H,22,24)
InChIKeySYWVYARUPDBFCA-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.29
Rot. Bonds4

About N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 71769056) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID71769056
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC NameN-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H24N2O2/c24-20(18-9-19(25-23-18)17-4-2-1-3-5-17)22-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16H,6-8,10-13H2,(H,22,24)
InChIKeySYWVYARUPDBFCA-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 71769056) is N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is SYWVYARUPDBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(18-9-19(25-23-18)17-4-2-1-3-5-17)22-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16H,6-8,10-13H2,(H,22,24).
What are the key properties of N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71769056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).