7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C20H16F3N5O3 — CID 67406765

IUPAC7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESNc1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C20H16F3N5O3/c21-20(22,23)12-2-1-3-13(8-12)27-19(29)28-6-7-30-16-9-14(4-5-15(16)28)31-18-10-17(24)25-11-26-18/h1-5,8-11H,6-7H2,(H,27,29)(H2,24,25,26)
InChIKeyVNTVZWPYYGACJH-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.30
Rot. Bonds3

About 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 67406765) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID67406765
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESNc1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C20H16F3N5O3/c21-20(22,23)12-2-1-3-13(8-12)27-19(29)28-6-7-30-16-9-14(4-5-15(16)28)31-18-10-17(24)25-11-26-18/h1-5,8-11H,6-7H2,(H,27,29)(H2,24,25,26)
InChIKeyVNTVZWPYYGACJH-UHFFFAOYSA-N
XLogP4.30
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596395
4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylic acid
CID 135385786
5-[6-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394305
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
5-[(2-amino-4-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 70877308
7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824191
4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 46382952
5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid
CID 67530679
5-[6-[(3-carbamoylpyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394341
5-[6-[[(1R)-3-acetyl-3,7-diazabicyclo[4.1.0]heptan-7-yl]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 89056231
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate
CID 12721841

Frequently Asked Questions

What is the IUPAC name of 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 67406765) is 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is Nc1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is VNTVZWPYYGACJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c21-20(22,23)12-2-1-3-13(8-12)27-19(29)28-6-7-30-16-9-14(4-5-15(16)28)31-18-10-17(24)25-11-26-18/h1-5,8-11H,6-7H2,(H,27,29)(H2,24,25,26).
What are the key properties of 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 431.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 67406765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).