N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C18H24N4O3 — CID 72874316

IUPACN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN(C)Cc2cccnc2)on1
InChIInChI=1S/C18H24N4O3/c1-13-6-16(25-21-13)7-15-11-24-12-17(15)20-18(23)10-22(2)9-14-4-3-5-19-8-14/h3-6,8,15,17H,7,9-12H2,1-2H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyVNUGDRGCDCYVNR-WBVHZDCISA-N
MW344.42 g/mol
LogP1.18
Rot. Bonds7

About N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 72874316) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID72874316
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN(C)Cc2cccnc2)on1
InChIInChI=1S/C18H24N4O3/c1-13-6-16(25-21-13)7-15-11-24-12-17(15)20-18(23)10-22(2)9-14-4-3-5-19-8-14/h3-6,8,15,17H,7,9-12H2,1-2H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyVNUGDRGCDCYVNR-WBVHZDCISA-N
XLogP1.18
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 72874316) is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN(C)Cc2cccnc2)on1.
What is the InChIKey of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is VNUGDRGCDCYVNR-WBVHZDCISA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-6-16(25-21-13)7-15-11-24-12-17(15)20-18(23)10-22(2)9-14-4-3-5-19-8-14/h3-6,8,15,17H,7,9-12H2,1-2H3,(H,20,23)/t15-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 72874316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).