N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

C18H23N5O3 — CID 124798831

IUPACN-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
SMILESCc1cc(CN2CC[C@]3(C[C@H](NC(=O)c4cnccn4)CCO3)C2)no1
InChIInChI=1S/C18H23N5O3/c1-13-8-15(22-26-13)11-23-6-3-18(12-23)9-14(2-7-25-18)21-17(24)16-10-19-4-5-20-16/h4-5,8,10,14H,2-3,6-7,9,11-12H2,1H3,(H,21,24)/t14-,18+/m1/s1
InChIKeyMSCOOPOGXPIWRF-KDOFPFPSSA-N
MW357.41 g/mol
LogP1.33
Rot. Bonds4

About N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide

N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (PubChem CID 124798831) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
PubChem CID124798831
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
SMILESCc1cc(CN2CC[C@]3(C[C@H](NC(=O)c4cnccn4)CCO3)C2)no1
InChIInChI=1S/C18H23N5O3/c1-13-8-15(22-26-13)11-23-6-3-18(12-23)9-14(2-7-25-18)21-17(24)16-10-19-4-5-20-16/h4-5,8,10,14H,2-3,6-7,9,11-12H2,1H3,(H,21,24)/t14-,18+/m1/s1
InChIKeyMSCOOPOGXPIWRF-KDOFPFPSSA-N
XLogP1.33
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide (CID 124798831) is N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is Cc1cc(CN2CC[C@]3(C[C@H](NC(=O)c4cnccn4)CCO3)C2)no1.
What is the InChIKey of N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
The InChIKey is MSCOOPOGXPIWRF-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13-8-15(22-26-13)11-23-6-3-18(12-23)9-14(2-7-25-18)21-17(24)16-10-19-4-5-20-16/h4-5,8,10,14H,2-3,6-7,9,11-12H2,1H3,(H,21,24)/t14-,18+/m1/s1.
What are the key properties of N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide?
N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 124798831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).