(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide

C17H21N5O3 — CID 127023450

IUPAC(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1COCc2c(-c3ccncc3)nnn2C1)[C@H]1CCCO1
InChIInChI=1S/C17H21N5O3/c23-17(15-2-1-7-25-15)19-8-12-9-22-14(11-24-10-12)16(20-21-22)13-3-5-18-6-4-13/h3-6,12,15H,1-2,7-11H2,(H,19,23)/t12?,15-/m1/s1
InChIKeyCJGCNBWLZBQLIA-WPZCJLIBSA-N
MW343.39 g/mol
LogP0.78
Rot. Bonds4

About (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide

(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide (PubChem CID 127023450) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide
PubChem CID127023450
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1COCc2c(-c3ccncc3)nnn2C1)[C@H]1CCCO1
InChIInChI=1S/C17H21N5O3/c23-17(15-2-1-7-25-15)19-8-12-9-22-14(11-24-10-12)16(20-21-22)13-3-5-18-6-4-13/h3-6,12,15H,1-2,7-11H2,(H,19,23)/t12?,15-/m1/s1
InChIKeyCJGCNBWLZBQLIA-WPZCJLIBSA-N
XLogP0.78
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
CID 118743015
N-[(3-pyridin-3-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxan-4-amine
CID 118746802
1-(oxan-4-yl)-N-[(3-pyridin-3-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]methanamine
CID 118746805
Oxolan-2-yl-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 53165141
(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127023449
(2S,3S)-N-[2-(2-methyl-3-pyridinyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
CID 164639070
(2S,3S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
CID 164640634
(2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846936
[(2S)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 95100620
[(2R)-oxolan-2-yl]-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 95100621
(3R)-N-[[(6S)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
CID 97469320
(3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
CID 97469321

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide (CID 127023450) is (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide is O=C(NCC1COCc2c(-c3ccncc3)nnn2C1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide?
The InChIKey is CJGCNBWLZBQLIA-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-17(15-2-1-7-25-15)19-8-12-9-22-14(11-24-10-12)16(20-21-22)13-3-5-18-6-4-13/h3-6,12,15H,1-2,7-11H2,(H,19,23)/t12?,15-/m1/s1.
What are the key properties of (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide?
(2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 127023450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).