N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide

C20H25N3O3 — CID 163277132

IUPACN-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCC1
InChIInChI=1S/C20H25N3O3/c1-13-19(14(2)26-22-13)17-12-16(21-20(24)15-4-5-15)6-7-18(17)25-11-10-23-8-3-9-23/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,21,24)
InChIKeyWBKKZTSIHNOJER-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.39
Rot. Bonds7

About N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide

N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide (PubChem CID 163277132) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
PubChem CID163277132
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCC1
InChIInChI=1S/C20H25N3O3/c1-13-19(14(2)26-22-13)17-12-16(21-20(24)15-4-5-15)6-7-18(17)25-11-10-23-8-3-9-23/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,21,24)
InChIKeyWBKKZTSIHNOJER-UHFFFAOYSA-N
XLogP3.39
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide (CID 163277132) is N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide is Cc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCC1.
What is the InChIKey of N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is WBKKZTSIHNOJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-19(14(2)26-22-13)17-12-16(21-20(24)15-4-5-15)6-7-18(17)25-11-10-23-8-3-9-23/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide?
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 163277132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).