(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone

C14H18N4O4 — CID 154765171

IUPAC(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2C[C@H](OC)CC2c2ncc[nH]2)on1
InChIInChI=1S/C14H18N4O4/c1-3-21-12-7-11(22-17-12)14(19)18-8-9(20-2)6-10(18)13-15-4-5-16-13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyOOHKPCMJTQPESG-YHMJZVADSA-N
MW306.32 g/mol
LogP1.40
Rot. Bonds5

About (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone

(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone (PubChem CID 154765171) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
PubChem CID154765171
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2C[C@H](OC)CC2c2ncc[nH]2)on1
InChIInChI=1S/C14H18N4O4/c1-3-21-12-7-11(22-17-12)14(19)18-8-9(20-2)6-10(18)13-15-4-5-16-13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyOOHKPCMJTQPESG-YHMJZVADSA-N
XLogP1.40
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone (CID 154765171) is (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone is CCOc1cc(C(=O)N2C[C@H](OC)CC2c2ncc[nH]2)on1.
What is the InChIKey of (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The InChIKey is OOHKPCMJTQPESG-YHMJZVADSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-21-12-7-11(22-17-12)14(19)18-8-9(20-2)6-10(18)13-15-4-5-16-13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone has a molecular weight of 306.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 154765171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).