benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate

C20H19N5O6 — CID 162700856

IUPACbenzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate
SMILESCn1c(C2(NC(=O)OCc3ccccc3)CC2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C20H19N5O6/c1-25-17(28)15(26)14(16(27)22-13-9-21-31-11-13)23-18(25)20(7-8-20)24-19(29)30-10-12-5-3-2-4-6-12/h2-6,9,11,26H,7-8,10H2,1H3,(H,22,27)(H,24,29)
InChIKeyQAXPCYRJIBOFAR-UHFFFAOYSA-N
MW425.40 g/mol
LogP1.64
Rot. Bonds6

About benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate

benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate (PubChem CID 162700856) has the molecular formula C20H19N5O6 and a molecular weight of 425.40 g/mol. Its IUPAC name is benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate
PubChem CID162700856
Molecular FormulaC20H19N5O6
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Namebenzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate
SMILESCn1c(C2(NC(=O)OCc3ccccc3)CC2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C20H19N5O6/c1-25-17(28)15(26)14(16(27)22-13-9-21-31-11-13)23-18(25)20(7-8-20)24-19(29)30-10-12-5-3-2-4-6-12/h2-6,9,11,26H,7-8,10H2,1H3,(H,22,27)(H,24,29)
InChIKeyQAXPCYRJIBOFAR-UHFFFAOYSA-N
XLogP1.64
TPSA148.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate with MolForge

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Related Compounds

5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 146664900
1-ethyl-5-hydroxy-2-[(3R,6R)-6-(hydroxymethyl)-3-(phenylmethoxycarbonylamino)oxan-3-yl]-6-oxopyrimidine-4-carboxylic acid
CID 66910844
5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-2-[1-(1-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 172693364
methyl 5-hydroxy-6-oxo-2-[1-(phenylmethoxycarbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxylate
CID 135446262
2-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]-N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 170645924
methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate
CID 54690598
2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 166100320
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate
CID 58525708
methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
CID 129285191

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate?
The IUPAC name of benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate (CID 162700856) is benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate is Cn1c(C2(NC(=O)OCc3ccccc3)CC2)nc(C(=O)Nc2cnoc2)c(O)c1=O.
What is the InChIKey of benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate?
The InChIKey is QAXPCYRJIBOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O6/c1-25-17(28)15(26)14(16(27)22-13-9-21-31-11-13)23-18(25)20(7-8-20)24-19(29)30-10-12-5-3-2-4-6-12/h2-6,9,11,26H,7-8,10H2,1H3,(H,22,27)(H,24,29).
What are the key properties of benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate?
benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate has a molecular weight of 425.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]cyclopropyl]carbamate is sourced from PubChem (CID 162700856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).