3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide

C16H20N4O3 — CID 91915170

IUPAC3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide
SMILESCc1noc(-c2ccc(OC3CN(C(=O)NC(C)C)C3)cc2)n1
InChIInChI=1S/C16H20N4O3/c1-10(2)17-16(21)20-8-14(9-20)22-13-6-4-12(5-7-13)15-18-11(3)19-23-15/h4-7,10,14H,8-9H2,1-3H3,(H,17,21)
InChIKeySWTHICPFZRBUPC-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.23
Rot. Bonds4

About 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide

3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 91915170) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide
PubChem CID91915170
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide
SMILESCc1noc(-c2ccc(OC3CN(C(=O)NC(C)C)C3)cc2)n1
InChIInChI=1S/C16H20N4O3/c1-10(2)17-16(21)20-8-14(9-20)22-13-6-4-12(5-7-13)15-18-11(3)19-23-15/h4-7,10,14H,8-9H2,1-3H3,(H,17,21)
InChIKeySWTHICPFZRBUPC-UHFFFAOYSA-N
XLogP2.23
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide (CID 91915170) is 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide is Cc1noc(-c2ccc(OC3CN(C(=O)NC(C)C)C3)cc2)n1.
What is the InChIKey of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is SWTHICPFZRBUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)17-16(21)20-8-14(9-20)22-13-6-4-12(5-7-13)15-18-11(3)19-23-15/h4-7,10,14H,8-9H2,1-3H3,(H,17,21).
What are the key properties of 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide?
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 91915170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).