1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide

C19H31N3O3 — CID 72930425

IUPAC1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCCC[C@H]1CN(Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1
InChIInChI=1S/C19H31N3O3/c1-4-6-15-10-22(11-16-9-14(2)21-25-16)12-17(15)20-18(23)19(13-24-3)7-5-8-19/h9,15,17H,4-8,10-13H2,1-3H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyPNUFZPQZZKFGIE-RDJZCZTQSA-N
MW349.48 g/mol
LogP2.52
Rot. Bonds8

About 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 72930425) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID72930425
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCCC[C@H]1CN(Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1
InChIInChI=1S/C19H31N3O3/c1-4-6-15-10-22(11-16-9-14(2)21-25-16)12-17(15)20-18(23)19(13-24-3)7-5-8-19/h9,15,17H,4-8,10-13H2,1-3H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyPNUFZPQZZKFGIE-RDJZCZTQSA-N
XLogP2.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 72930425) is 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide is CCC[C@H]1CN(Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is PNUFZPQZZKFGIE-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-6-15-10-22(11-16-9-14(2)21-25-16)12-17(15)20-18(23)19(13-24-3)7-5-8-19/h9,15,17H,4-8,10-13H2,1-3H3,(H,20,23)/t15-,17-/m0/s1.
What are the key properties of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 72930425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).