(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate

C14H18N2O4 — CID 97004961

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
SMILESCc1cc(COC(=O)[C@H]2CCCN2C(=O)C2CC2)on1
InChIInChI=1S/C14H18N2O4/c1-9-7-11(20-15-9)8-19-14(18)12-3-2-6-16(12)13(17)10-4-5-10/h7,10,12H,2-6,8H2,1H3/t12-/m1/s1
InChIKeyBBSACXCKHQYLOK-GFCCVEGCSA-N
MW278.31 g/mol
LogP1.43
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate (PubChem CID 97004961) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
PubChem CID97004961
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
SMILESCc1cc(COC(=O)[C@H]2CCCN2C(=O)C2CC2)on1
InChIInChI=1S/C14H18N2O4/c1-9-7-11(20-15-9)8-19-14(18)12-3-2-6-16(12)13(17)10-4-5-10/h7,10,12H,2-6,8H2,1H3/t12-/m1/s1
InChIKeyBBSACXCKHQYLOK-GFCCVEGCSA-N
XLogP1.43
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl (2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 97004960
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 47013955
(7,8-dimethyl-2-oxochromen-4-yl)methyl 1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 71896872
(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
CID 9473298
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
tert-butyl (2R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80709145
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
(3-methyl-1,2-oxazol-5-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463541
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
CID 142573256
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate (CID 97004961) is (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate is Cc1cc(COC(=O)[C@H]2CCCN2C(=O)C2CC2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
The InChIKey is BBSACXCKHQYLOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-7-11(20-15-9)8-19-14(18)12-3-2-6-16(12)13(17)10-4-5-10/h7,10,12H,2-6,8H2,1H3/t12-/m1/s1.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 97004961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).