N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C17H18F2N2O2 — CID 164631687

IUPACN-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC[C@H]1[C@H](c2ccccc2)C1(F)F
InChIInChI=1S/C17H18F2N2O2/c1-10(2)15-14(21-9-23-15)16(22)20-8-12-13(17(12,18)19)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyCXEVREXBDFCKSG-STQMWFEESA-N
MW320.34 g/mol
LogP3.58
Rot. Bonds5

About N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 164631687) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID164631687
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC[C@H]1[C@H](c2ccccc2)C1(F)F
InChIInChI=1S/C17H18F2N2O2/c1-10(2)15-14(21-9-23-15)16(22)20-8-12-13(17(12,18)19)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3,(H,20,22)/t12-,13-/m0/s1
InChIKeyCXEVREXBDFCKSG-STQMWFEESA-N
XLogP3.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 164631687) is N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NC[C@H]1[C@H](c2ccccc2)C1(F)F.
What is the InChIKey of N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is CXEVREXBDFCKSG-STQMWFEESA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-10(2)15-14(21-9-23-15)16(22)20-8-12-13(17(12,18)19)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3,(H,20,22)/t12-,13-/m0/s1.
What are the key properties of N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164631687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).