N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C19H28N2O2 — CID 17191025

IUPACN-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O2/c1-4-16(20-18(22)17-11(2)21-23-12(17)3)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-16H,4-10H2,1-3H3,(H,20,22)
InChIKeyKSVFZLPPRMDOCE-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.02
Rot. Bonds4

About N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 17191025) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID17191025
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O2/c1-4-16(20-18(22)17-11(2)21-23-12(17)3)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-16H,4-10H2,1-3H3,(H,20,22)
InChIKeyKSVFZLPPRMDOCE-UHFFFAOYSA-N
XLogP4.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 17191025) is N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCC(NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is KSVFZLPPRMDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-16(20-18(22)17-11(2)21-23-12(17)3)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-16H,4-10H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17191025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).