3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C16H21N5O3 — CID 121351083

IUPAC3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(O)CC2)c(N)nc1-c1ncco1
InChIInChI=1S/C16H21N5O3/c1-9-12(16-18-7-8-24-16)21-14(17)13(19-9)15(23)20-10-3-2-4-11(22)6-5-10/h7-8,10-11,22H,2-6H2,1H3,(H2,17,21)(H,20,23)
InChIKeyWBTNLVCNTIPZIJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.45
Rot. Bonds3

About 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351083) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351083
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(O)CC2)c(N)nc1-c1ncco1
InChIInChI=1S/C16H21N5O3/c1-9-12(16-18-7-8-24-16)21-14(17)13(19-9)15(23)20-10-3-2-4-11(22)6-5-10/h7-8,10-11,22H,2-6H2,1H3,(H2,17,21)(H,20,23)
InChIKeyWBTNLVCNTIPZIJ-UHFFFAOYSA-N
XLogP1.45
TPSA127.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351083) is 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NC2CCCC(O)CC2)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is WBTNLVCNTIPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-9-12(16-18-7-8-24-16)21-14(17)13(19-9)15(23)20-10-3-2-4-11(22)6-5-10/h7-8,10-11,22H,2-6H2,1H3,(H2,17,21)(H,20,23).
What are the key properties of 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).