[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C16H19N5O3 — CID 110112799

IUPAC[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESNc1nccnc1C1CN(C(=O)c2noc3c2CCCC3)CCO1
InChIInChI=1S/C16H19N5O3/c17-15-14(18-5-6-19-15)12-9-21(7-8-23-12)16(22)13-10-3-1-2-4-11(10)24-20-13/h5-6,12H,1-4,7-9H2,(H2,17,19)
InChIKeyNRQROIURMFPHOM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.14
Rot. Bonds2

About [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 110112799) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID110112799
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESNc1nccnc1C1CN(C(=O)c2noc3c2CCCC3)CCO1
InChIInChI=1S/C16H19N5O3/c17-15-14(18-5-6-19-15)12-9-21(7-8-23-12)16(22)13-10-3-1-2-4-11(10)24-20-13/h5-6,12H,1-4,7-9H2,(H2,17,19)
InChIKeyNRQROIURMFPHOM-UHFFFAOYSA-N
XLogP1.14
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124955017
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 125003929
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 110119170
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 110112797
[(2S)-2-[(1S)-1,2-dihydroxyethyl]morpholin-4-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 167853903
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 125011005
4-[2-[(2S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140115
[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124964339
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110106016
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4-chloro-1-propylpyrazol-3-yl)methanone
CID 124990646
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124944446

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 110112799) is [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is Nc1nccnc1C1CN(C(=O)c2noc3c2CCCC3)CCO1.
What is the InChIKey of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is NRQROIURMFPHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c17-15-14(18-5-6-19-15)12-9-21(7-8-23-12)16(22)13-10-3-1-2-4-11(10)24-20-13/h5-6,12H,1-4,7-9H2,(H2,17,19).
What are the key properties of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 110112799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).