N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

C16H21N5O3 — CID 125022017

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C16H21N5O3/c1-11-14(12(2)24-19-11)15(22)20(3)9-16(23)4-7-21(10-16)13-8-17-5-6-18-13/h5-6,8,23H,4,7,9-10H2,1-3H3/t16-/m1/s1
InChIKeyYNRXEINROXDXHP-MRXNPFEDSA-N
MW331.38 g/mol
LogP0.79
Rot. Bonds4

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 125022017) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID125022017
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C16H21N5O3/c1-11-14(12(2)24-19-11)15(22)20(3)9-16(23)4-7-21(10-16)13-8-17-5-6-18-13/h5-6,8,23H,4,7,9-10H2,1-3H3/t16-/m1/s1
InChIKeyYNRXEINROXDXHP-MRXNPFEDSA-N
XLogP0.79
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (CID 125022017) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YNRXEINROXDXHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-14(12(2)24-19-11)15(22)20(3)9-16(23)4-7-21(10-16)13-8-17-5-6-18-13/h5-6,8,23H,4,7,9-10H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 125022017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).