N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide

C17H20N4O3 — CID 154756064

IUPACN-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide
SMILESCc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCCCO1
InChIInChI=1S/C17H20N4O3/c1-11-10-13(16-19-15(20-24-16)12-4-5-12)6-7-14(11)18-17(22)21-8-2-3-9-23-21/h6-7,10,12H,2-5,8-9H2,1H3,(H,18,22)
InChIKeyNGRSUAOXXRWLGW-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.48
Rot. Bonds3

About N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide

N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide (PubChem CID 154756064) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide
PubChem CID154756064
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide
SMILESCc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCCCO1
InChIInChI=1S/C17H20N4O3/c1-11-10-13(16-19-15(20-24-16)12-4-5-12)6-7-14(11)18-17(22)21-8-2-3-9-23-21/h6-7,10,12H,2-5,8-9H2,1H3,(H,18,22)
InChIKeyNGRSUAOXXRWLGW-UHFFFAOYSA-N
XLogP3.48
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide?
The IUPAC name of N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide (CID 154756064) is N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide?
The canonical SMILES for N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide is Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCCCO1.
What is the InChIKey of N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide?
The InChIKey is NGRSUAOXXRWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-10-13(16-19-15(20-24-16)12-4-5-12)6-7-14(11)18-17(22)21-8-2-3-9-23-21/h6-7,10,12H,2-5,8-9H2,1H3,(H,18,22).
What are the key properties of N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide?
N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide is sourced from PubChem (CID 154756064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).