N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

C22H23N5O3S — CID 90519858

IUPACN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4onc5c4CSC5)C3)ncn2)cc1
InChIInChI=1S/C22H23N5O3S/c1-29-16-6-4-14(5-7-16)18-9-20(24-13-23-18)27-8-2-3-15(10-27)21(28)25-22-17-11-31-12-19(17)26-30-22/h4-7,9,13,15H,2-3,8,10-12H2,1H3,(H,25,28)
InChIKeyKFRXSZQPMBCITK-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.74
Rot. Bonds5

About N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90519858) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID90519858
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4onc5c4CSC5)C3)ncn2)cc1
InChIInChI=1S/C22H23N5O3S/c1-29-16-6-4-14(5-7-16)18-9-20(24-13-23-18)27-8-2-3-15(10-27)21(28)25-22-17-11-31-12-19(17)26-30-22/h4-7,9,13,15H,2-3,8,10-12H2,1H3,(H,25,28)
InChIKeyKFRXSZQPMBCITK-UHFFFAOYSA-N
XLogP3.74
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519727
N-[4-(dimethylamino)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519788
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519790
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 90519752
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 90519749
N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519855
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519768
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519851
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520133

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90519858) is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is COc1ccc(-c2cc(N3CCCC(C(=O)Nc4onc5c4CSC5)C3)ncn2)cc1.
What is the InChIKey of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is KFRXSZQPMBCITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-29-16-6-4-14(5-7-16)18-9-20(24-13-23-18)27-8-2-3-15(10-27)21(28)25-22-17-11-31-12-19(17)26-30-22/h4-7,9,13,15H,2-3,8,10-12H2,1H3,(H,25,28).
What are the key properties of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90519858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).