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

C19H32ClN3O3 — CID 154899419

IUPAC1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1.Cl
InChIInChI=1S/C19H31N3O3.ClH/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);1H/t15-,17-;/m0./s1
InChIKeyGSMOEMSFCSRSBK-NBLXOJGSSA-N
MW385.94 g/mol
LogP2.94
Rot. Bonds8

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

1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride (PubChem CID 154899419) has the molecular formula C19H32ClN3O3 and a molecular weight of 385.94 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;hydrochloride.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
PubChem CID154899419
Molecular FormulaC19H32ClN3O3
Molecular Weight385.94 g/mol
Exact Mass385.21
IUPAC Name1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1.Cl
InChIInChI=1S/C19H31N3O3.ClH/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);1H/t15-,17-;/m0./s1
InChIKeyGSMOEMSFCSRSBK-NBLXOJGSSA-N
XLogP2.94
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methoxymethyl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 133138149
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
CID 72939147
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride
CID 154898758
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide
CID 72902494
(3S)-3-(3-methoxypropyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 97132553
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid
CID 154915713
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
5-[[(3S,4R)-3-acetamido-4-propylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70714832
N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 171334002
2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 72886847

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;hydrochloride?
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;hydrochloride (CID 154899419) is 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride.
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;hydrochloride?
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;hydrochloride is CCC[C@H]1CN(Cc2cc(C)no2)C[C@@H]1NC(=O)C1(COC)CCC1.Cl.
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;hydrochloride?
The InChIKey is GSMOEMSFCSRSBK-NBLXOJGSSA-N. The full InChI is InChI=1S/C19H31N3O3.ClH/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);1H/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;hydrochloride?
1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 2.94, 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;hydrochloride is sourced from PubChem (CID 154899419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).