1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea

C16H23N3O3 — CID 3044022

IUPAC1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea
SMILESCCCNC(=O)N(C)C1=NCCC(COc2ccccc2)O1
InChIInChI=1S/C16H23N3O3/c1-3-10-17-15(20)19(2)16-18-11-9-14(22-16)12-21-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,20)
InChIKeyLLPNSRCRQHWOPX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.26
Rot. Bonds5

About 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea

1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea (PubChem CID 3044022) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea
PubChem CID3044022
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea
SMILESCCCNC(=O)N(C)C1=NCCC(COc2ccccc2)O1
InChIInChI=1S/C16H23N3O3/c1-3-10-17-15(20)19(2)16-18-11-9-14(22-16)12-21-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,20)
InChIKeyLLPNSRCRQHWOPX-UHFFFAOYSA-N
XLogP2.26
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea?
The IUPAC name of 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea (CID 3044022) is 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea.
What is the SMILES notation for 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea?
The canonical SMILES for 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea is CCCNC(=O)N(C)C1=NCCC(COc2ccccc2)O1.
What is the InChIKey of 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea?
The InChIKey is LLPNSRCRQHWOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-10-17-15(20)19(2)16-18-11-9-14(22-16)12-21-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,20).
What are the key properties of 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea?
1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea has a molecular weight of 305.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[6-(phenoxymethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]-3-propylurea is sourced from PubChem (CID 3044022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).