(2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate

C19H15FN4O3 — CID 71134367

IUPAC(2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate
SMILESO=C(NN1CCOc2ccc(F)cc21)Oc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H15FN4O3/c20-14-6-7-17-16(10-14)24(8-9-26-17)23-19(25)27-15-11-21-18(22-12-15)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,23,25)
InChIKeyNOLUZUFQUAHPQV-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.19
Rot. Bonds3

About (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate

(2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate (PubChem CID 71134367) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate.

Molecular Properties

Compound Name(2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate
PubChem CID71134367
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name(2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate
SMILESO=C(NN1CCOc2ccc(F)cc21)Oc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H15FN4O3/c20-14-6-7-17-16(10-14)24(8-9-26-17)23-19(25)27-15-11-21-18(22-12-15)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,23,25)
InChIKeyNOLUZUFQUAHPQV-UHFFFAOYSA-N
XLogP3.19
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate?
The IUPAC name of (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate (CID 71134367) is (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate.
What is the SMILES notation for (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate?
The canonical SMILES for (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate is O=C(NN1CCOc2ccc(F)cc21)Oc1cnc(-c2ccccc2)nc1.
What is the InChIKey of (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate?
The InChIKey is NOLUZUFQUAHPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c20-14-6-7-17-16(10-14)24(8-9-26-17)23-19(25)27-15-11-21-18(22-12-15)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,23,25).
What are the key properties of (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate?
(2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate has a molecular weight of 366.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrimidin-5-yl) N-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)carbamate is sourced from PubChem (CID 71134367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).