2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

C19H20ClN5O3 — CID 135186874

IUPAC2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C19H20ClN5O3/c1-25(2)7-8-27-17-6-4-13(10-22-17)12-3-5-14(20)15(9-12)23-18(26)16-11-28-19(21)24-16/h3-6,9-11H,7-8H2,1-2H3,(H2,21,24)(H,23,26)
InChIKeyKXKXMYNKIGEJRT-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.16
Rot. Bonds7

About 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186874) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186874
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C19H20ClN5O3/c1-25(2)7-8-27-17-6-4-13(10-22-17)12-3-5-14(20)15(9-12)23-18(26)16-11-28-19(21)24-16/h3-6,9-11H,7-8H2,1-2H3,(H2,21,24)(H,23,26)
InChIKeyKXKXMYNKIGEJRT-UHFFFAOYSA-N
XLogP3.16
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186874) is 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is CN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KXKXMYNKIGEJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-25(2)7-8-27-17-6-4-13(10-22-17)12-3-5-14(20)15(9-12)23-18(26)16-11-28-19(21)24-16/h3-6,9-11H,7-8H2,1-2H3,(H2,21,24)(H,23,26).
What are the key properties of 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).