N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide

C19H25N3O4 — CID 98042058

IUPACN-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C2)c1
InChIInChI=1S/C19H25N3O4/c1-12-18(13(2)26-21-12)11-22-6-5-15(10-22)20-19(23)14-7-16(24-3)9-17(8-14)25-4/h7-9,15H,5-6,10-11H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeySUJWRHHNBGDOAM-HNNXBMFYSA-N
MW359.43 g/mol
LogP2.31
Rot. Bonds6

About N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide

N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide (PubChem CID 98042058) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide
PubChem CID98042058
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C2)c1
InChIInChI=1S/C19H25N3O4/c1-12-18(13(2)26-21-12)11-22-6-5-15(10-22)20-19(23)14-7-16(24-3)9-17(8-14)25-4/h7-9,15H,5-6,10-11H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeySUJWRHHNBGDOAM-HNNXBMFYSA-N
XLogP2.31
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 98042037
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 99740337
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9268823
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 98042041
2-chloro-N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 98042040
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylacetamide
CID 171146257
5-cyclopropyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 171146250
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide (CID 98042058) is N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C2)c1.
What is the InChIKey of N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is SUJWRHHNBGDOAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-18(13(2)26-21-12)11-22-6-5-15(10-22)20-19(23)14-7-16(24-3)9-17(8-14)25-4/h7-9,15H,5-6,10-11H2,1-4H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide?
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 359.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 98042058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).