(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide

C18H24N4O3 — CID 124594378

IUPAC(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2OCCc3ccccc32)no1
InChIInChI=1S/C18H24N4O3/c1-18(2,17-19-14(25-21-17)11-22(3)4)20-16(23)15-13-8-6-5-7-12(13)9-10-24-15/h5-8,15H,9-11H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyHGIWIHRSEUVJDH-HNNXBMFYSA-N
MW344.42 g/mol
LogP1.80
Rot. Bonds5

About (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide

(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 124594378) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID124594378
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2OCCc3ccccc32)no1
InChIInChI=1S/C18H24N4O3/c1-18(2,17-19-14(25-21-17)11-22(3)4)20-16(23)15-13-8-6-5-7-12(13)9-10-24-15/h5-8,15H,9-11H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyHGIWIHRSEUVJDH-HNNXBMFYSA-N
XLogP1.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95162989
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 86857308
tert-butyl N-[2-[5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077854
3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
CID 119860728
N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75431245
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
N-(1-aminopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 63733825
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide
CID 86857354
N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 115752894
N-(3-amino-2,2-difluoropropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114383356

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 124594378) is (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide is CN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2OCCc3ccccc32)no1.
What is the InChIKey of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is HGIWIHRSEUVJDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,17-19-14(25-21-17)11-22(3)4)20-16(23)15-13-8-6-5-7-12(13)9-10-24-15/h5-8,15H,9-11H2,1-4H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide?
(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 124594378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).