2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate

C19H21N5O6 — CID 167798206

IUPAC2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate
SMILESCc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)OCCn1c(=O)oc2cccnc21
InChIInChI=1S/C19H21N5O6/c1-11-12(10-21-16(22-11)23-17(26)30-19(2,3)4)15(25)28-9-8-24-14-13(29-18(24)27)6-5-7-20-14/h5-7,10H,8-9H2,1-4H3,(H,21,22,23,26)
InChIKeyWSZGMIUVRUSBMO-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.29
Rot. Bonds5

About 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate

2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate (PubChem CID 167798206) has the molecular formula C19H21N5O6 and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate
PubChem CID167798206
Molecular FormulaC19H21N5O6
Molecular Weight415.41 g/mol
Exact Mass415.15
IUPAC Name2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate
SMILESCc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)OCCn1c(=O)oc2cccnc21
InChIInChI=1S/C19H21N5O6/c1-11-12(10-21-16(22-11)23-17(26)30-19(2,3)4)15(25)28-9-8-24-14-13(29-18(24)27)6-5-7-20-14/h5-7,10H,8-9H2,1-4H3,(H,21,22,23,26)
InChIKeyWSZGMIUVRUSBMO-UHFFFAOYSA-N
XLogP2.29
TPSA138.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate with MolForge

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Related Compounds

4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 167738680
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylate
CID 126835547
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
CID 142790595

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
The IUPAC name of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate (CID 167798206) is 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
The canonical SMILES for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate is Cc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)OCCn1c(=O)oc2cccnc21.
What is the InChIKey of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
The InChIKey is WSZGMIUVRUSBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O6/c1-11-12(10-21-16(22-11)23-17(26)30-19(2,3)4)15(25)28-9-8-24-14-13(29-18(24)27)6-5-7-20-14/h5-7,10H,8-9H2,1-4H3,(H,21,22,23,26).
What are the key properties of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate has a molecular weight of 415.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)ethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 167798206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).