N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide

C18H19N5O2 — CID 99874520

IUPACN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)cn1
InChIInChI=1S/C18H19N5O2/c1-12-9-20-15(11-19-12)17(24)21-10-13-5-4-8-23(13)18-22-14-6-2-3-7-16(14)25-18/h2-3,6-7,9,11,13H,4-5,8,10H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyDTXVYRVEPIUATJ-CYBMUJFWSA-N
MW337.38 g/mol
LogP2.33
Rot. Bonds4

About N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide

N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 99874520) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID99874520
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)cn1
InChIInChI=1S/C18H19N5O2/c1-12-9-20-15(11-19-12)17(24)21-10-13-5-4-8-23(13)18-22-14-6-2-3-7-16(14)25-18/h2-3,6-7,9,11,13H,4-5,8,10H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyDTXVYRVEPIUATJ-CYBMUJFWSA-N
XLogP2.33
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-methylbenzamide
CID 90619120
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 99874453
N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 99874511
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3,4-diethoxybenzamide
CID 90619088
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-ethoxyacetamide
CID 90618857
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144
N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 99874530
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-sulfamoylbenzamide
CID 90619044
N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(1-methylindol-3-yl)acetamide
CID 99874503
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 99874532
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 90618920
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 99874520) is N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)cn1.
What is the InChIKey of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is DTXVYRVEPIUATJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-9-20-15(11-19-12)17(24)21-10-13-5-4-8-23(13)18-22-14-6-2-3-7-16(14)25-18/h2-3,6-7,9,11,13H,4-5,8,10H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 99874520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).