N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

C18H25N5O2 — CID 91922903

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C
InChIInChI=1S/C18H25N5O2/c1-13-17(25-12-20-13)18(24)21-16-11-23(10-15(16)9-22(2)3)8-14-5-4-6-19-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyZLROZJIFWGHEOJ-HZPDHXFCSA-N
MW343.43 g/mol
LogP1.17
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 91922903) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID91922903
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C
InChIInChI=1S/C18H25N5O2/c1-13-17(25-12-20-13)18(24)21-16-11-23(10-15(16)9-22(2)3)8-14-5-4-6-19-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyZLROZJIFWGHEOJ-HZPDHXFCSA-N
XLogP1.17
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 53195196
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CID 56884395
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 91922903) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ZLROZJIFWGHEOJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-17(25-12-20-13)18(24)21-16-11-23(10-15(16)9-22(2)3)8-14-5-4-6-19-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91922903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).