N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide

C15H18N4O3 — CID 97469218

IUPACN-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC[C@@H]2Cn3nncc3CO2)c1
InChIInChI=1S/C15H18N4O3/c1-21-13-4-2-3-11(5-13)6-15(20)16-8-14-9-19-12(10-22-14)7-17-18-19/h2-5,7,14H,6,8-10H2,1H3,(H,16,20)/t14-/m1/s1
InChIKeyNSOICFXEPPTQOE-CQSZACIVSA-N
MW302.33 g/mol
LogP0.54
Rot. Bonds5

About N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide

N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 97469218) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
PubChem CID97469218
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC[C@@H]2Cn3nncc3CO2)c1
InChIInChI=1S/C15H18N4O3/c1-21-13-4-2-3-11(5-13)6-15(20)16-8-14-9-19-12(10-22-14)7-17-18-19/h2-5,7,14H,6,8-10H2,1H3,(H,16,20)/t14-/m1/s1
InChIKeyNSOICFXEPPTQOE-CQSZACIVSA-N
XLogP0.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 24637215
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N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
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CID 99745122
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 118739128
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367661
2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide
CID 123679557
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128984529
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide (CID 97469218) is N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC[C@@H]2Cn3nncc3CO2)c1.
What is the InChIKey of N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is NSOICFXEPPTQOE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-21-13-4-2-3-11(5-13)6-15(20)16-8-14-9-19-12(10-22-14)7-17-18-19/h2-5,7,14H,6,8-10H2,1H3,(H,16,20)/t14-/m1/s1.
What are the key properties of N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide?
N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 97469218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).