3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide

C19H27N5O2 — CID 110117449

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1nccnc1C1CCN(C)CC1
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-23-13)4-5-18(25)22-12-17-19(21-9-8-20-17)15-6-10-24(3)11-7-15/h8-9,15H,4-7,10-12H2,1-3H3,(H,22,25)
InChIKeySCZMCHBFZPZJDB-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.14
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide (PubChem CID 110117449) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide
PubChem CID110117449
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1nccnc1C1CCN(C)CC1
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-23-13)4-5-18(25)22-12-17-19(21-9-8-20-17)15-6-10-24(3)11-7-15/h8-9,15H,4-7,10-12H2,1-3H3,(H,22,25)
InChIKeySCZMCHBFZPZJDB-UHFFFAOYSA-N
XLogP2.14
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
CID 125016091
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N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
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CID 43389662
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
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CID 92605724
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 100750901
N-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51947278
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide
CID 46959010
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47909658
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide (CID 110117449) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide is Cc1noc(C)c1CCC(=O)NCc1nccnc1C1CCN(C)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide?
The InChIKey is SCZMCHBFZPZJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-16(14(2)26-23-13)4-5-18(25)22-12-17-19(21-9-8-20-17)15-6-10-24(3)11-7-15/h8-9,15H,4-7,10-12H2,1-3H3,(H,22,25).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 110117449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).