[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C16H21N5O2 — CID 124980606

IUPAC[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)co1
InChIInChI=1S/C16H21N5O2/c1-11-20-14(10-23-11)16(22)21-5-2-3-12(4-6-21)7-13-8-19-15(17)9-18-13/h8-10,12H,2-7H2,1H3,(H2,17,19)/t12-/m0/s1
InChIKeyMKDFSUUHTKDPRJ-LBPRGKRZSA-N
MW315.38 g/mol
LogP1.84
Rot. Bonds3

About [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 124980606) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID124980606
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)co1
InChIInChI=1S/C16H21N5O2/c1-11-20-14(10-23-11)16(22)21-5-2-3-12(4-6-21)7-13-8-19-15(17)9-18-13/h8-10,12H,2-7H2,1H3,(H2,17,19)/t12-/m0/s1
InChIKeyMKDFSUUHTKDPRJ-LBPRGKRZSA-N
XLogP1.84
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110119168
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124961132
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124966703
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 124948490
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(oxan-4-yl)ethanone
CID 124991729
1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one
CID 124997503
1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 124968323
[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95828746
[4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110112663
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyrazin-2-ylmethanone
CID 110112744
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124939718
[5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95842690

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 124980606) is [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)co1.
What is the InChIKey of [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is MKDFSUUHTKDPRJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-20-14(10-23-11)16(22)21-5-2-3-12(4-6-21)7-13-8-19-15(17)9-18-13/h8-10,12H,2-7H2,1H3,(H2,17,19)/t12-/m0/s1.
What are the key properties of [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 124980606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).