tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate

C23H29N5O4 — CID 58346017

IUPACtert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc3c(c2)OCCN3C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H29N5O4/c1-23(2,3)32-22(30)27-11-9-26(10-12-27)18-15-19-20(24-16-18)28(13-14-31-19)21(29)25-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,25,29)
InChIKeyTVXGBCRJVIPSDM-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate

tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate (PubChem CID 58346017) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate
PubChem CID58346017
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Nametert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc3c(c2)OCCN3C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H29N5O4/c1-23(2,3)32-22(30)27-11-9-26(10-12-27)18-15-19-20(24-16-18)28(13-14-31-19)21(29)25-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,25,29)
InChIKeyTVXGBCRJVIPSDM-UHFFFAOYSA-N
XLogP3.57
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate
CID 58346279
tert-butyl 7-iodo-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 46737977
tert-butyl pyrrolidine-1-carboxylate;N-phenylacetamide
CID 162081451
7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346086
tert-butyl 4-[4-[(3-methylphenyl)carbamoylamino]phenyl]piperazine-1-carboxylate
CID 69449699
6-chloro-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 22557211
tert-butyl 4-(5-methoxycarbonyl-3-phenyl-2-pyridinyl)piperazine-1-carboxylate
CID 59427561
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346146
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
tert-butyl 4-[6-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
CID 178100422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate (CID 58346017) is tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnc3c(c2)OCCN3C(=O)Nc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate?
The InChIKey is TVXGBCRJVIPSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-23(2,3)32-22(30)27-11-9-26(10-12-27)18-15-19-20(24-16-18)28(13-14-31-19)21(29)25-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,25,29).
What are the key properties of tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate has a molecular weight of 439.52 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 58346017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).