3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide

C16H18F3N5O2 — CID 121351254

IUPAC3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCC(C(F)(F)F)CC2)c(N)nc1-c1ncco1
InChIInChI=1S/C16H18F3N5O2/c1-8-11(15-21-6-7-26-15)24-13(20)12(22-8)14(25)23-10-4-2-9(3-5-10)16(17,18)19/h6-7,9-10H,2-5H2,1H3,(H2,20,24)(H,23,25)
InChIKeyMNYZSFZAOMXPDY-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.87
Rot. Bonds3

About 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide (PubChem CID 121351254) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
PubChem CID121351254
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCC(C(F)(F)F)CC2)c(N)nc1-c1ncco1
InChIInChI=1S/C16H18F3N5O2/c1-8-11(15-21-6-7-26-15)24-13(20)12(22-8)14(25)23-10-4-2-9(3-5-10)16(17,18)19/h6-7,9-10H,2-5H2,1H3,(H2,20,24)(H,23,25)
InChIKeyMNYZSFZAOMXPDY-UHFFFAOYSA-N
XLogP2.87
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3-fluoropyrazin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351037
3-amino-N-[(1R,2R)-2-fluorocyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351041
3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 121351137
3-amino-N-[(1S,2R)-2-fluorocyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351139
3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351212
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide
CID 121351303
3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351331
3-amino-N-(3,3-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351364
[3-Amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone
CID 121351428
3-amino-N-[[1-(2,2-difluoroethyl)-2-oxopyridin-3-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351454
3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 135375502

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide (CID 121351254) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide is Cc1nc(C(=O)NC2CCC(C(F)(F)F)CC2)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is MNYZSFZAOMXPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-8-11(15-21-6-7-26-15)24-13(20)12(22-8)14(25)23-10-4-2-9(3-5-10)16(17,18)19/h6-7,9-10H,2-5H2,1H3,(H2,20,24)(H,23,25).
What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 121351254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).