N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide

C19H22N6O3 — CID 16669757

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide
SMILESCc1cc(-c2cncnc2C2CCN(CC(=O)Nc3cc(C)on3)CC2)on1
InChIInChI=1S/C19H22N6O3/c1-12-7-16(28-23-12)15-9-20-11-21-19(15)14-3-5-25(6-4-14)10-18(26)22-17-8-13(2)27-24-17/h7-9,11,14H,3-6,10H2,1-2H3,(H,22,24,26)
InChIKeyNFLKCHQTKPRIQN-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.55
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide (PubChem CID 16669757) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide
PubChem CID16669757
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide
SMILESCc1cc(-c2cncnc2C2CCN(CC(=O)Nc3cc(C)on3)CC2)on1
InChIInChI=1S/C19H22N6O3/c1-12-7-16(28-23-12)15-9-20-11-21-19(15)14-3-5-25(6-4-14)10-18(26)22-17-8-13(2)27-24-17/h7-9,11,14H,3-6,10H2,1-2H3,(H,22,24,26)
InChIKeyNFLKCHQTKPRIQN-UHFFFAOYSA-N
XLogP2.55
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide (CID 16669757) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide is Cc1cc(-c2cncnc2C2CCN(CC(=O)Nc3cc(C)on3)CC2)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
The InChIKey is NFLKCHQTKPRIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12-7-16(28-23-12)15-9-20-11-21-19(15)14-3-5-25(6-4-14)10-18(26)22-17-8-13(2)27-24-17/h7-9,11,14H,3-6,10H2,1-2H3,(H,22,24,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 16669757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).