methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate

C18H23N3O5 — CID 95140577

IUPACmethyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)CN2CCC[C@@H]2c2c(C)noc2C)o1
InChIInChI=1S/C18H23N3O5/c1-11-17(12(2)26-20-11)14-5-4-8-21(14)10-16(22)19-9-13-6-7-15(25-13)18(23)24-3/h6-7,14H,4-5,8-10H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyRENKEBGNJLIIDH-CQSZACIVSA-N
MW361.40 g/mol
LogP2.12
Rot. Bonds6

About methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate

methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate (PubChem CID 95140577) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate
PubChem CID95140577
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Namemethyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)CN2CCC[C@@H]2c2c(C)noc2C)o1
InChIInChI=1S/C18H23N3O5/c1-11-17(12(2)26-20-11)14-5-4-8-21(14)10-16(22)19-9-13-6-7-15(25-13)18(23)24-3/h6-7,14H,4-5,8-10H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyRENKEBGNJLIIDH-CQSZACIVSA-N
XLogP2.12
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate (CID 95140577) is methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(=O)CN2CCC[C@@H]2c2c(C)noc2C)o1.
What is the InChIKey of methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate?
The InChIKey is RENKEBGNJLIIDH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-11-17(12(2)26-20-11)14-5-4-8-21(14)10-16(22)19-9-13-6-7-15(25-13)18(23)24-3/h6-7,14H,4-5,8-10H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 95140577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).