1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one

C19H21N5O3 — CID 159306770

IUPAC1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one
SMILESCOCc1coc(-c2nc(N)c(C(=O)CCc3ncccc3C)nc2C)n1
InChIInChI=1S/C19H21N5O3/c1-11-5-4-8-21-14(11)6-7-15(25)17-18(20)24-16(12(2)22-17)19-23-13(9-26-3)10-27-19/h4-5,8,10H,6-7,9H2,1-3H3,(H2,20,24)
InChIKeyLBZZSTJGMGSKNX-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.69
Rot. Bonds7

About 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one

1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one (PubChem CID 159306770) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one
PubChem CID159306770
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one
SMILESCOCc1coc(-c2nc(N)c(C(=O)CCc3ncccc3C)nc2C)n1
InChIInChI=1S/C19H21N5O3/c1-11-5-4-8-21-14(11)6-7-15(25)17-18(20)24-16(12(2)22-17)19-23-13(9-26-3)10-27-19/h4-5,8,10H,6-7,9H2,1-3H3,(H2,20,24)
InChIKeyLBZZSTJGMGSKNX-UHFFFAOYSA-N
XLogP2.69
TPSA117.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid
CID 121351018
3-(3-methyl-2-pyridinyl)propanamide
CID 20592751
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 121351359
1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one
CID 159806025
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 121351154
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68983390
3-amino-N-methoxy-N,6-dimethyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121350983
1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one
CID 158041244
4-(methoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole
CID 11041632
3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 145086016
3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351365
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one (CID 159306770) is 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one is COCc1coc(-c2nc(N)c(C(=O)CCc3ncccc3C)nc2C)n1.
What is the InChIKey of 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one?
The InChIKey is LBZZSTJGMGSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-5-4-8-21-14(11)6-7-15(25)17-18(20)24-16(12(2)22-17)19-23-13(9-26-3)10-27-19/h4-5,8,10H,6-7,9H2,1-3H3,(H2,20,24).
What are the key properties of 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one?
1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one has a molecular weight of 367.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazin-2-yl]-3-(3-methyl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 159306770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).