2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide

C18H19ClN6O3 — CID 135186868

IUPAC2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCOc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C18H19ClN6O3/c1-25(2)5-6-27-18-21-8-12(9-22-18)11-3-4-13(19)14(7-11)23-16(26)15-10-28-17(20)24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,20,24)(H,23,26)
InChIKeyGRJGXGVGJPYYGS-UHFFFAOYSA-N
MW402.84 g/mol
LogP2.56
Rot. Bonds7

About 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186868) has the molecular formula C18H19ClN6O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186868
Molecular FormulaC18H19ClN6O3
Molecular Weight402.84 g/mol
Exact Mass402.12
IUPAC Name2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCOc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C18H19ClN6O3/c1-25(2)5-6-27-18-21-8-12(9-22-18)11-3-4-13(19)14(7-11)23-16(26)15-10-28-17(20)24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,20,24)(H,23,26)
InChIKeyGRJGXGVGJPYYGS-UHFFFAOYSA-N
XLogP2.56
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-oxazole-4-carboxamide
CID 118204305
ALP-POS-d0876c20-17
CID 156906471
2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186859
2-amino-N-[2-chloro-5-[1-[3-(cyclopropylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186861
2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186862
2-amino-N-[2-chloro-5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186864
2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186874
2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide
CID 135186875
2-amino-N-[2-chloro-5-[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186876
2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186877
2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186880
2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186868) is 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide is CN(C)CCOc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GRJGXGVGJPYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3/c1-25(2)5-6-27-18-21-8-12(9-22-18)11-3-4-13(19)14(7-11)23-16(26)15-10-28-17(20)24-15/h3-4,7-10H,5-6H2,1-2H3,(H2,20,24)(H,23,26).
What are the key properties of 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).