tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate

C19H19N5O5 — CID 58917280

IUPACtert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2cc(-c3nc(C(N)=O)co3)ncn2)c1
InChIInChI=1S/C19H19N5O5/c1-19(2,3)29-18(26)23-11-5-4-6-12(7-11)28-15-8-13(21-10-22-15)17-24-14(9-27-17)16(20)25/h4-10H,1-3H3,(H2,20,25)(H,23,26)
InChIKeyQEANBNVSSMDGQN-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.37
Rot. Bonds5

About tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate

tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate (PubChem CID 58917280) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate
PubChem CID58917280
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Nametert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2cc(-c3nc(C(N)=O)co3)ncn2)c1
InChIInChI=1S/C19H19N5O5/c1-19(2,3)29-18(26)23-11-5-4-6-12(7-11)28-15-8-13(21-10-22-15)17-24-14(9-27-17)16(20)25/h4-10H,1-3H3,(H2,20,25)(H,23,26)
InChIKeyQEANBNVSSMDGQN-UHFFFAOYSA-N
XLogP3.37
TPSA142.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
CID 57387079
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
CID 69411937
tert-butyl N-[3-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]phenyl]carbamate
CID 70843625
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
CID 133058698
tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate
CID 59262979
tert-butyl N-[3-[[4-(ethylamino)-5-nitro-2-pyridinyl]oxy]phenyl]carbamate
CID 68871818
N-[3-[6-(1,3-oxazol-4-yl)pyrimidin-4-yl]oxyphenyl]pyridine-2-carboxamide
CID 143499712
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate (CID 58917280) is tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(Oc2cc(-c3nc(C(N)=O)co3)ncn2)c1.
What is the InChIKey of tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate?
The InChIKey is QEANBNVSSMDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-19(2,3)29-18(26)23-11-5-4-6-12(7-11)28-15-8-13(21-10-22-15)17-24-14(9-27-17)16(20)25/h4-10H,1-3H3,(H2,20,25)(H,23,26).
What are the key properties of tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate?
tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate has a molecular weight of 397.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate is sourced from PubChem (CID 58917280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).