N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide

C17H20N2O3 — CID 164628117

IUPACN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C[C@H]1CC1(C)C)C(=O)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H20N2O3/c1-17(2)9-12(17)10-19(3)16(21)14-8-15(22-18-14)11-5-4-6-13(20)7-11/h4-8,12,20H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyMDKNYNUNPDMTJH-GFCCVEGCSA-N
MW300.36 g/mol
LogP3.17
Rot. Bonds4

About N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide

N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 164628117) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID164628117
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C[C@H]1CC1(C)C)C(=O)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C17H20N2O3/c1-17(2)9-12(17)10-19(3)16(21)14-8-15(22-18-14)11-5-4-6-13(20)7-11/h4-8,12,20H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyMDKNYNUNPDMTJH-GFCCVEGCSA-N
XLogP3.17
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 164628117) is N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide is CN(C[C@H]1CC1(C)C)C(=O)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is MDKNYNUNPDMTJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2)9-12(17)10-19(3)16(21)14-8-15(22-18-14)11-5-4-6-13(20)7-11/h4-8,12,20H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-5-(3-hydroxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164628117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).